SCHEMBL6572292

SCHEMBL6572292

Nc1ccc(O)c(-c2ccc3c(c2)OCO3)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
GAPDH P04406 1/20 0.47
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MAPT P10636 3/20 0.46
ALOX15 P16050 2/20 0.46
HTT P42858 2/20 0.46
HSD17B10 Q99714 2/20 0.46
PTGS1 P23219 2/20 0.46
PTGS2 P35354 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 2/20 0.45
CYP19A1 P11511 2/20 0.45
ALDH1A1 P00352 1/20 0.45
BCL2L1 Q07817 1/20 0.43
SRC P12931 1/20 0.43
KIF11 P52732 1/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43

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
Hydrochloric Acid SCHEMBL6782247 0.98 ALOX5 (0.46) ALOX5GAPDHCA12CA2CA9
SCHEMBL5684858 0.89 GAPDH (0.48) ALOX5GAPDHCA12CA2CA9
Hydrochloric Acid SCHEMBL5685660 0.87 GAPDH (0.47) ALOX5GAPDHCA12CA2CA9
SCHEMBL14919902 0.81 AR (0.51) ALOX5GAPDHMAPTCYP3A4MAPK1
SCHEMBL6011371 0.80 MAPT (0.48) CA12CA2CA9MAPTALOX15
Hydrochloric Acid SCHEMBL6011738 0.79 MAPT (0.47) CA12CA2CA9MAPTALOX15
SCHEMBL27466656 0.78 BCL2L1 (0.59) ALOX5GAPDHCA12CA2CA9
SCHEMBL27637871 0.77 MAP2K4 (0.52) ALOX5GAPDHCA12CA2CA9
SCHEMBL5098907 0.77 BCL2L1 (0.52) ALOX5GAPDHMAPTALOX15HTT
SCHEMBL3901839 0.77 CA12 (0.61) CA12CA2CA9MAPTALOX15

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
EP-1208077-B1 2-HYDROXY-5-AMINO-BIPHENYL-DERIVATIVES AND OXIDATIVE HAIR COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-04-21 EP claimed
US-6749644-B2 DEVELOPER AND COUPLER; WIDE RANGE OF DIFFERENT COLOR SHADES FROM BLOND TO BROWN, PURPLE, VIOLET AND EVEN BLUE AND BLACK; INTENSITY WELLA AKTIENGESELLSCHAFT (DE) 2004-06-15 US disclosed
EP-1208077-B1 2-HYDROXY-5-AMINO-BIPHENYL-DERIVATIVES AND OXIDATIVE HAIR COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-04-21 EP disclosed
US-20020166180-A1 2-hydroxy-5-amino-biphenyl-derivatives and oxidative hair colouring agents containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2002-11-14 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 (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-20020166180-A1 2-hydroxy-5-amino-biphenyl-derivatives and oxidative hair colouring agents containing said compounds AHR, KRT18, HMOX2 ALOX5 358/4885GAPDH 729/4885CA12 4045/4885

“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.