SCHEMBL3878280

SCHEMBL3878280

Nc1cc2[nH]c3ccccc3c2cc1O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.61
ALDH1A1 P00352 3/20 0.52
GPR3 P46089 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SRC P12931 1/20 0.48
PRKACA P17612 1/20 0.48
PRKACG P22612 1/20 0.48
PRKACB P22694 1/20 0.48
KIF11 P52732 7/20 0.47
PARP1 P09874 1/20 0.47
IMPDH2 P12268 1/20 0.47
IMPDH1 P20839 1/20 0.47
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
KDM4E B2RXH2 3/20 0.46
APP P05067 1/20 0.44
MAPT P10636 1/20 0.44
ATM Q13315 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
SCHEMBL3876929 0.93 AHR (0.61) AHRALDH1A1GPR3HSD17B10SRC
SCHEMBL3876188 0.86 SRC (0.64) AHRALDH1A1HSD17B10SRCPRKACA
SCHEMBL3872832 0.84 AHR (0.71) AHRALDH1A1GPR3HSD17B10KIF11
SCHEMBL3884246 0.84 AHR (0.71) AHRALDH1A1GPR3HSD17B10SRC
SCHEMBL27673176 0.82 AHR (0.52) AHRALDH1A1GPR3HSD17B10KIF11
SCHEMBL27673115 0.78 AHR (0.52) AHRALDH1A1GPR3HSD17B10KIF11
SCHEMBL29885265 0.78 AHR (0.61) AHRALDH1A1GPR3HSD17B10SRC
SCHEMBL3876544 0.78 SRC (0.64) AHRALDH1A1HSD17B10SRCPRKACA
SCHEMBL12219476 0.77 AHR (1.00) AHRALDH1A1GPR3HSD17B10KIF11
SCHEMBL12219478 0.77 AHR (1.00) AHRALDH1A1GPR3HSD17B10KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US claimed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US claimed
US-7491245-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US disclosed
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US disclosed
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US disclosed
EP-1735059-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-12-27 EP disclosed
WO-2005099656-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-10-27 WO disclosed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 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 (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-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, TUBB6 AHR 1457/4885ALDH1A1 660/4885GPR3 4420/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 AHR 1457/4885ALDH1A1 660/4885GPR3 4420/4885

“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.