SCHEMBL4869221

SCHEMBL4869221

Cc1ccc(N)cc1O.Cc1ccc(N)cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 1.00
TSHR P16473 2/20 1.00
PDE10A Q9Y233 1/20 0.65
ALDH1A1 P00352 7/20 0.59
CYP3A4 P08684 5/20 0.52
RECQL P46063 2/20 0.48
ACHE P22303 1/20 0.48
TRPA1 O75762 1/20 0.48
PTGS1 P23219 1/20 0.48
CACNA1C Q13936 1/20 0.48
KDM4E B2RXH2 5/20 0.46
MAPT P10636 4/20 0.46
GAA P10253 2/20 0.46
ESR2 Q92731 1/20 0.46
PTPN1 P18031 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ALOX15 P16050 4/20 0.46
HSD17B10 Q99714 4/20 0.46
MAPK1 P28482 2/20 0.46

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
SCHEMBL93860 1.00
SCHEMBL29670126 1.00
Dimethylamine SCHEMBL9021118 0.93 CASP1 (0.86) CASP1TSHRPDE10AALDH1A1CYP3A4
SCHEMBL10594028 0.91 CASP1 (0.83) CASP1TSHRPDE10AALDH1A1CYP3A4
Sulfuric Acid SCHEMBL1883126 0.89 CASP1 (0.79) CASP1TSHRPDE10AALDH1A1CYP3A4
Resorcinol SCHEMBL8059792 0.87 TSHR (0.76) CASP1TSHRPDE10AALDH1A1CYP3A4
SCHEMBL7999222 0.87 CASP1 (0.76) CASP1TSHRPDE10AALDH1A1CYP3A4
Phenol SCHEMBL27557181 0.87 CASP1 (0.76) CASP1TSHRPDE10AALDH1A1CYP3A4
Orcinol SCHEMBL8043977 0.87 CASP1 (0.76) CASP1TSHRPDE10AALDH1A1CYP3A4
SCHEMBL11798806 0.85 CASP1 (0.73) CASP1TSHRPDE10AALDH1A1CYP3A4

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 4 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-1001734-A1 DYES Henkel Kommanditgesellschaft auf Aktien (DE) 2000-05-24 EP disclosed
WO-1999006016-A1 DYES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-02-11 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 CASP1 1818/4885TSHR 3700/4885PDE10A 4021/4885

“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.