SCHEMBL10104091

SCHEMBL10104091

OCC[n+]1ccc(/C=C/c2ccc(N(CCSSCCN(Cc3ccccc3)c3ccc(/C=C/c4cc[n+](CCO)cc4)cc3)Cc3ccccc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 2/20 0.41
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
CRHBP P24387 1/20 0.39
RAB9A P51151 1/20 0.39
CRHR2 Q13324 1/20 0.39
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
MITF O75030 1/20 0.36
MAPK1 P28482 1/20 0.36
RAD52 P43351 1/20 0.36

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
SCHEMBL10104098 0.92 CHRM2 (0.42) CHATALDH1A1LMNAMAPTKMT2A
SCHEMBL12215960 0.91 CHRM2 (0.40) CHATALDH1A1LMNAMAPTKMT2A
SCHEMBL10104088 0.87 CHRM2 (0.42) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL12215959 0.87 CHAT (0.44) CHATALDH1A1LMNAMAPTKMT2A
SCHEMBL10104079 0.85 KMT2A (0.43) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL10104078 0.84 CHAT (0.47) CHATALDH1A1LMNAMAPTKMT2A
SCHEMBL10104069 0.84 CHRM2 (0.54) CHATALDH1A1LMNAMAPTKMT2A
SCHEMBL12657254 0.84 CHAT (0.31) CHAT
SCHEMBL12215962 0.80 CHRM2 (0.42) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL10104099 0.79 CHRM2 (0.45) ALDH1A1LMNAMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-8328880-B2 Method of colouring and lightening keratin materials in the presence of a reducing agent comprising a fluorescent disulphide dye L'OREAL (FR) 2012-12-11 US disclosed
US-20120177587-A1 METHOD OF COLOURING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DISULPHIDE DYE L'ORéAL S.A. 2012-07-12 US 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-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

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

For each of this compound's patents that has machine-readable text (3 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-20120177587-A1 METHOD OF COLOURING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DISULPHIDE DYE KRT18, DSG1, KRTCAP2 CHAT 2535/4885ALDH1A1 619/4885LMNA 538/4885
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 CHAT 1316/4885ALDH1A1 175/4885LMNA 2360/4885
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 CHAT 2515/4885ALDH1A1 626/4885LMNA 525/4885

“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.