SCHEMBL4867594

SCHEMBL4867594

Cc1cccc(N)c1O.Cc1cccc(N)c1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
TRPA1 O75762 2/20 0.56
CD44 P16070 1/20 0.56
CYP3A4 P08684 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
TSHR P16473 3/20 0.50
PIK3CA P42336 1/20 0.50
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
KDM4E B2RXH2 4/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MMP2 P08253 1/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.45
ATM Q13315 1/20 0.44
ALOX15 P16050 1/20 0.42
NOS3 P29474 1/20 0.41

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
SCHEMBL33788 1.00
SCHEMBL29357959 1.00
Hydrochloric Acid SCHEMBL6570703 0.97 ALDH1A1 (0.62) ALDH1A1TRPA1CD44CYP3A4TDP1
Bromide SCHEMBL4899892 0.97 ALDH1A1 (0.62) ALDH1A1TRPA1CD44CYP3A4TDP1
SCHEMBL28445504 0.84 ALDH1A1 (0.46) ALDH1A1TRPA1CD44CYP3A4TDP1
SCHEMBL28446637 0.82 ALDH1A1 (0.45) ALDH1A1TRPA1CD44CYP3A4TDP1
SCHEMBL9195298 0.82 ALOX15 (0.47) ALDH1A1TRPA1CD44CYP3A4TDP1
SCHEMBL1172644 0.80
SCHEMBL11575272 0.80 ALDH1A1 (1.00) ALDH1A1TRPA1CD44CYP3A4TDP1
SCHEMBL64141 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7431742-B2 Hair coloring kits and methods of use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-10-07 US disclosed
US-20070251025-A1 Hair coloring kits and methods of use thereof THE PROCTER & GAMBLE COMPANY 2007-11-01 US disclosed
EP-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 EP disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 EP disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 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 (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-20070251025-A1 Hair coloring kits and methods of use thereof COXFA4L2, SQOR, GPX4 ALDH1A1 175/4885TRPA1 2860/4885CD44 253/4885

“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.