SCHEMBL10104055

SCHEMBL10104055

CC[n+]1ccccc1/C(C)=C/c1ccc(NCCSSCCNc2ccc(/C=C(\C)c3cccc[n+]3CC)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
STAT3 P40763 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL10104067 0.88 POLB (0.31)
SCHEMBL16070455 0.86
SCHEMBL10104054 0.85
SCHEMBL12657232 0.77 NPC1 (0.41) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL14194574 0.77 KMT2A (0.37) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL10104049 0.77 RAB9A (0.55) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL10104056 0.77 ESR1 (0.36) KDM4E
SCHEMBL10104060 0.74 ESR1 (0.38)
SCHEMBL10104062 0.71 KDM4E (0.36) KDM4E
SCHEMBL12657235 0.70 APP (0.33)

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-2018847-B1 Hair composition comprising at least one direct disulfide dye and at least one alkali hydroxide agent and method of simultaneous styling and dyeing. ORÉAL L (FR) 2014-09-17 EP disclosed
US-8097044-B2 Hair compositions comprising at least one disulfide direct dye and at least one alkaline hydroxide agent and simultaneous hair shaping and dyeing processes L'OREAL S.A. (FR) 2012-01-17 US disclosed
US-8038731-B2 hair dyes contains naphthylimide thiol or disulphide groups; resistant and visible lightening effect on dark keratin fibres; cosmetics L'OREAL S.A. (FR) 2011-10-18 US disclosed
US-20090313769-A1 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DISULPHIDE DYE L'OREAL S.A. (FR) 2009-12-24 US disclosed
US-20090126755-A1 Hair compositions comprising at least one disulfide direct dye and at least one alkaline hydroxide agent and simultaneous hair shaping an dyeing processes L'OREAL S.A. (FR) 2009-05-21 US disclosed
EP-2018847-A1 Hair composition comprising at least one direct disulfide dye and at least one alkali hydroxide agent and method of simultaneous styling and dyeing. L'Oreal (FR) 2009-01-28 EP disclosed
WO-2007110534-A2 DYEING COMPOSITION COMPRISING A THIOL/DISULPHIDE FLUORESCENT COLORANT HAVING AN EXTERNAL 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

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

For each of this compound's patents that has machine-readable text (2 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-20090126755-A1 Hair compositions comprising at least one disulfide direct dye and at least one alkaline hydroxide agent and simultaneous hair shaping an dyeing processes KRT18, DSG1, ALPG KDM4E 992/4885MEN1 3833/4885NPC1 4829/4885
US-20090313769-A1 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DISULPHIDE DYE KRT18, DSG1, KRTCAP2 KDM4E 1542/4885MEN1 3694/4885NPC1 4684/4885

“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.