SCHEMBL559144

SCHEMBL559144

C[C](c1ccco1)c1ccco1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
PTPN1 P18031 1/20 0.50
ALDH1A1 P00352 6/20 0.48
POLB P06746 4/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
THRB P10828 1/20 0.48
APEX1 P27695 1/20 0.48
RECQL P46063 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GAA P10253 2/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK1 P28482 1/20 0.47
PTGS1 P23219 1/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2459083 0.84 ALDH1A1 (0.58) CES2CES1PTPN1ALDH1A1POLB
SCHEMBL5640669 0.83
SCHEMBL183491 0.81
SCHEMBL43960 0.79
SCHEMBL17056191 0.79
SCHEMBL257915 0.79
SCHEMBL27777913 0.79 CES2 (0.65) CES2CES1PTPN1ALDH1A1POLB
SCHEMBL15294309 0.79
SCHEMBL27554912 0.79
SCHEMBL8040537 0.79

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2193172-B1 PHENYLPYRIDO [1,2-A]INDOLIUM-DERIVED THIOL/DISULFIDE DYE, DYE COMPOSITION COMPRISING THIS DYE, PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE OREAL (FR) 2013-05-01 EP disclosed
US-8420684-B2 imidazole derivatives; Alzheimer's Disease, Down syndrome, Huntington's Disease; hypotensive agents; sleeping/eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 4-Cyclopropylimino-5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-yl-propyl)-imidazolidin-2-one PROBIODRUG AG (DE) 2013-04-16 US disclosed
US-8398722-B2 Phenylpyrido [1,2-A] indolium-derived thiol/disulfide dye, dye composition comprising this dye, process for lightening keratin materials using this dye L'OREAL (FR) 2013-03-19 US disclosed
US-20120266392-A1 PHENYLPYRIDO [1,2-A] INDOLIUM-DERIVED THIOL/DISULFIDE DYE, DYE COMPOSITION COMPRISING THIS DYE, PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE L'OREAL (FR) 2012-10-25 US disclosed
US-20120031422-A9 FLUORESCENT ENTITY, DYEING COMPOSITION CONTAINING AT LEAST ONE FLUORESCENT ENTITY COMPRISING AT LEAST ONE HETEROCYCLE, WITH AT LEAST ONE INTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID AT LEAST ONE FLUORESCENT ENTITY L'OREAL S.A. (FR) 2012-02-09 US disclosed
US-8038732-B2 Fluorescent entity, dyeing composition containing at least one fluorescent entity, and method for lightening keratin materials using said at least one fluorescent entity L'OREAL S.A. (FR) 2011-10-18 US disclosed
US-8034125-B2 Dye composition comprising at least one colorless disulfide/thiol precursor, and dyeing process using the composition L'OREAL S.A. (FR) 2011-10-11 US disclosed
EP-2205681-B1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION OREAL (FR) 2011-08-31 EP disclosed
US-20110016642-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION L'OREAL S.A. (FR) 2011-01-27 US disclosed
US-20110011417-A1 DYE COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT DYE COMPRISING A HETEROCYCLE,AND COMPRISING AN INTERNAL CATIONIC CHARGE, PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE L'OREAL S.A. (FR) 2011-01-20 US disclosed
US-7744657-B2 Styrl tetrahydroquinolinium thiol/disulfide dye compound and method for lightening keratin materials using the same L'OREAL S.A. (FR) 2010-06-29 US disclosed
US-7727287-B2 Hemicyanin styryl thiol/disulfide dye, composition comprising hemicyanin styryl thoil/disulfide dye, and method for lightening keratin materials using hemicyanin styryl thiol/disulfide dye L'OREAL S.A. (FR) 2010-06-01 US disclosed
US-7717964-B2 Styryl thiol/disulfide compound with a hydroxy(cyclo)alkylamino unit, process for lightening keratin materials using same L'OREAL S.A. (FR) 2010-05-18 US disclosed
US-20090320216-A1 Fluorescent entity, dyeing composition containing at least one fluorescent entity, and method for lightening keratin materials using said at least one fluorescent entity L'OREAL S.A. (FR) 2009-12-31 US disclosed
US-20090211038-A1 HEMICYANIN STYRYL THIOL/DISULFIDE DYE, COMPOSITION COMPRISING HEMICYANIN STYRYL THIOL/DISULFIDE DYE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING HEMICYANIN STYRYL THIOL/DISULFIDE DYE L'OREAL S.A. (FR) 2009-08-27 US disclosed
US-20090172897-A1 STYRYL THIOL/DISULFIDE COMPOUND WITH A HYDROXY(CYCLO)ALKYLAMINO UNIT, PROCESS FOR LIGHTENING KERATIN MATERIALS USING SAME L'OREAL S.A. (FR) 2009-07-09 US disclosed
US-20090126125-A1 STYRYL TETRAHYDROQUINOLINIUM THIOL/DISULFIDE DYE COMPOUND AND METHOD FOR LIGHTENING KERATIN MATERIALS USING THE SAME L'OREAL S.A. (FR) 2009-05-21 US disclosed
WO-2009040354-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION L'OREAL (FR) 2009-04-02 WO disclosed
WO-2009037325-A2 THIOL/DISULFIDE INDOLE-DERIVED, STYRYL DYE, DYE COMPOSITION COMPRISING SAID DYE, PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE L'OREAL (FR) 2009-03-26 WO disclosed
US-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2008-09-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110016642-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION KRT18, SQOR, TST CES2 2203/4885CES1 3068/4885PTPN1 1363/4885
US-20120031422-A9 FLUORESCENT ENTITY, DYEING COMPOSITION CONTAINING AT LEAST ONE FLUORESCENT ENTITY COMPRISING AT LEAST ONE HETEROCYCLE, WITH AT LEAST ONE INTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID AT LEAST ONE FLUORESCENT ENTITY KRT18, KRTCAP2, DSG1 CES2 4456/4885CES1 3984/4885PTPN1 4214/4885
US-20090126125-A1 STYRYL TETRAHYDROQUINOLINIUM THIOL/DISULFIDE DYE COMPOUND AND METHOD FOR LIGHTENING KERATIN MATERIALS USING THE SAME KRT18, TST, CYBA CES2 3544/4885CES1 4038/4885PTPN1 4117/4885
US-20090320216-A1 Fluorescent entity, dyeing composition containing at least one fluorescent entity, and method for lightening keratin materials using said at least one fluorescent entity KRT18, NAP1L4, NAP1L1 CES2 3527/4885CES1 4043/4885PTPN1 3137/4885
US-20090211038-A1 HEMICYANIN STYRYL THIOL/DISULFIDE DYE, COMPOSITION COMPRISING HEMICYANIN STYRYL THIOL/DISULFIDE DYE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING HEMICYANIN STYRYL THIOL/DISULFIDE DYE KRT18, SCNN1B, TST CES2 3188/4885CES1 2310/4885PTPN1 3202/4885
US-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase GLS, GLS2, GLUL CES2 1652/4885CES1 667/4885PTPN1 3865/4885
US-20090172897-A1 STYRYL THIOL/DISULFIDE COMPOUND WITH A HYDROXY(CYCLO)ALKYLAMINO UNIT, PROCESS FOR LIGHTENING KERATIN MATERIALS USING SAME KRT18, TST, CYBA CES2 2785/4885CES1 3547/4885PTPN1 4230/4885
US-20120266392-A1 PHENYLPYRIDO [1,2-A] INDOLIUM-DERIVED THIOL/DISULFIDE DYE, DYE COMPOSITION COMPRISING THIS DYE, PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE KRT18, IK, PTMA CES2 4108/4885CES1 3297/4885PTPN1 2346/4885
US-20110011417-A1 DYE COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT DYE COMPRISING A HETEROCYCLE,AND COMPRISING AN INTERNAL CATIONIC CHARGE, PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE KRT18, CYBA, KRTCAP2 CES2 4181/4885CES1 4125/4885PTPN1 3732/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.