SCHEMBL3945285

SCHEMBL3945285

Cc1ccc(N)c(Cl)c1O.Nc1c(Cl)ccc(O)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
TSHR P16473 2/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CASP1 P29466 1/20 0.32
PDE10A Q9Y233 1/20 0.32
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ESR1 P03372 2/20 0.32

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
SCHEMBL94507 0.84 CYP3A4 (0.43) CYP3A4MAPK1ALDH1A1GAAMAPT
SCHEMBL29835021 0.84 CYP3A4 (0.43) CYP3A4MAPK1ALDH1A1GAAMAPT
Hydrochloric Acid SCHEMBL1154738 0.82 CYP3A4 (0.41) CYP3A4MAPK1ALDH1A1GAAMAPT
Hydrochloric Acid SCHEMBL22612489 0.80 CYP3A4 (0.40) CYP3A4MAPK1ALDH1A1GAAMAPT
SCHEMBL29356274 0.80 CYP3A4 (0.59) CYP3A4MAPK1ALDH1A1GAAMAPT
SCHEMBL4856943 0.80 CYP3A4 (0.59) CYP3A4MAPK1ALDH1A1GAAMAPT
SCHEMBL110840 0.80 CYP3A4 (0.59) CYP3A4MAPK1ALDH1A1GAAMAPT
Hydrochloric Acid SCHEMBL374537 0.78 CYP3A4 (0.56) CYP3A4MAPK1ALDH1A1GAAMAPT
Hydrochloric Acid SCHEMBL30818252 0.78 CYP3A4 (0.56) CYP3A4MAPK1ALDH1A1GAAMAPT
SCHEMBL7640579 0.76 PDE10A (0.48) CYP3A4MAPK1ALDH1A1GAAMAPT

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
CN-114341423-B Human hair fiber treating agent 花王株式会社 2024-05-14 CN disclosed
CN-117120686-A Fiber treatment agent 花王株式会社 2023-11-24 CN disclosed
CN-116783347-A Fiber treatment agent 花王株式会社 2023-09-19 CN disclosed
CN-116745484-A fiber treatment agent 花王株式会社 2023-09-12 CN disclosed
CN-116710610-A Fiber treatment agent 花王株式会社 2023-09-05 CN disclosed
CN-116648538-A Fiber treatment agent 花王株式会社 2023-08-25 CN disclosed
US-7476261-B2 vivid color to hair without causing decomposition of the direct azo dye; excellent fastness to light, wash, sweat, friction and heat; stable to alkalizing agents and oxidizing agents; 4-azo-2,1,3-BENZOTHIADIAZOLE dyes KAO CORPORATION (JP) 2009-01-13 US disclosed
US-20080134448-A1 Hair Dye Composition KAO CORPORATION (JP) 2008-06-12 US disclosed
EP-0613366-A1 5,6-DIHYDROXYINDOLINE AS ADDITIVES FOR HAIR-DYEING PREPARATIONS. HENKEL KGAA (DE) 1994-09-07 EP disclosed
WO-1993009759-A1 5,6-DIHYDROXYINDOLINE AS ADDITIVES FOR HAIR-DYEING PREPARATIONS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1993-05-27 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-20080134448-A1 Hair Dye Composition MC1R, CYB5R3, MC5R CYP3A4 1170/4885MAPK1 2077/4885ALDH1A1 1500/4885

“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.