SCHEMBL559906

SCHEMBL559906

O=C(CCl)NCCSSCCNC(=O)CCl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TEAD1 P28347 1/20 0.50
YAP1 P46937 1/20 0.50
TEAD4 Q15561 1/20 0.50
TEAD2 Q15562 1/20 0.50
TSHR P16473 3/20 0.37
LMNA P02545 1/20 0.37
HDAC3 O15379 4/20 0.33
HDAC4 P56524 4/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC7 Q8WUI4 4/20 0.33
HDAC2 Q92769 4/20 0.33
HDAC10 Q969S8 4/20 0.33
HDAC11 Q96DB2 4/20 0.33
HDAC8 Q9BY41 4/20 0.33
HDAC6 Q9UBN7 4/20 0.33
HDAC9 Q9UKV0 4/20 0.33
HDAC5 Q9UQL6 4/20 0.33
FAAH O00519 2/20 0.33

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
SCHEMBL13908687 0.87 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TEAD1YAP1TEAD4
SCHEMBL226350 0.80
SCHEMBL5533465 0.80 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2TEAD1YAP1TEAD4
SCHEMBL2058693 0.80 FAAH (0.52) ALDH1A1SMN1; SMN2TEAD1YAP1TEAD4
SCHEMBL31026918 0.77 TSHR (0.36) ALDH1A1SMN1; SMN2TEAD1YAP1TEAD4
SCHEMBL6319788 0.77 CA2 (0.38) ALDH1A1SMN1; SMN2TEAD1YAP1TEAD4
SCHEMBL17546684 0.77 MEN1 (0.61) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL3380301 0.77 HDAC1 (0.36) ALDH1A1SMN1; SMN2TEAD1YAP1TEAD4
SCHEMBL14959901 0.77 TEAD1 (0.49) ALDH1A1SMN1; SMN2TEAD1YAP1TEAD4
SCHEMBL3074569 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2781556-B1 Method of colouring and lightening keratin materials in the presence of a reducing agent comprising a fluorescent disulphide dye L'ORÉAL (FR) 2017-03-01 EP disclosed
EP-2004759-B1 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DISULPHIDE DYE ORÉAL L (FR) 2016-05-11 EP disclosed
EP-2004759-B1 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DISULPHIDE DYE ORÉAL L (FR) 2016-05-11 EP disclosed
EP-2070988-B1 Styryl thiol/disulfide compound with a hydroxy(cyclo)alkylamino unit, process for lightening keratin materials using this dye ORÉAL L (FR) 2014-12-10 EP disclosed
EP-2070988-B1 Styryl thiol/disulfide compound with a hydroxy(cyclo)alkylamino unit, process for lightening keratin materials using this dye ORÉAL L (FR) 2014-12-10 EP disclosed
EP-2781556-A1 Method of colouring and lightening keratin materials in the presence of a reducing agent comprising a fluorescent disulphide dye L'Oréal (FR) 2014-09-24 EP disclosed
EP-2781556-A1 Method of colouring and lightening keratin materials in the presence of a reducing agent comprising a fluorescent disulphide dye L'Oréal (FR) 2014-09-24 EP disclosed
US-20140033450-A1 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DEISULPHIDE DYE L'OREAL (FR) 2014-02-06 US disclosed
US-20140033450-A1 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DEISULPHIDE DYE L'OREAL (FR) 2014-02-06 US disclosed
US-8562693-B2 Method of dyeing and lightening keratin materials in the presence of a reducing agent comprising a fluorescent deisulphide dye L'OREAL (FR) 2013-10-22 US disclosed
WO-2009010694-A2 DYEING METHOD USING A STYRYL- OR IMINE-TYPE DISULFIDE/THIOL COMPOUND AND STIMULI, COMPOSITION AND DEVICE FOR IMPLEMENTING SAME L'OREAL (FR) 2009-01-22 WO disclosed
WO-2009010694-A2 DYEING METHOD USING A STYRYL- OR IMINE-TYPE DISULFIDE/THIOL COMPOUND AND STIMULI, COMPOSITION AND DEVICE FOR IMPLEMENTING SAME L'OREAL (FR) 2009-01-22 WO disclosed
EP-2004759-A2 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DISULPHIDE DYE L'Oréal (FR) 2008-12-24 EP disclosed
EP-2004758-A2 DYEING COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT COLORANT COMPRISING A HETEROCYCLE, WITH AN INTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT L'Oréal (FR) 2008-12-24 EP disclosed
WO-2007110541-A2 DYEING COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT COLORANT COMPRISING A CONDENSED CYCLE, WITH AN INTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT L'OREAL (FR) 2007-10-04 WO disclosed
WO-2007110539-A2 DYEING COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT COLORANT COMPRISING A HETEROCYCLE, WITH AN INTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT L'ORÉAL (FR) 2007-10-04 WO disclosed
WO-2007110539-A2 DYEING COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT COLORANT COMPRISING A HETEROCYCLE, WITH AN INTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT L'ORÉAL (FR) 2007-10-04 WO disclosed
WO-2007110542-A2 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DISULPHIDE DYE L'OREAL (FR) 2007-10-04 WO disclosed
WO-2007110542-A2 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DISULPHIDE DYE L'OREAL (FR) 2007-10-04 WO disclosed
US-4349532-A Cosmetic compositions based on poly-(quaternary ammonium) polymers L'OREAL (FR) 1982-09-14 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 (1 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-20140033450-A1 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DEISULPHIDE DYE KRT18, DSG1, DSP ALDH1A1 626/4885SMN1; SMN2 4768/4885TEAD1 4323/4885

“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.