SCHEMBL6572438

SCHEMBL6572438

Nc1ccc(O)c(-c2cccc(O)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.56
PELI1 Q96FA3 1/20 0.54
CA12 O43570 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CA14 Q9ULX7 1/20 0.54
HSD17B1 P14061 11/20 0.50
HSD17B2 P37059 11/20 0.50
CYP3A4 P08684 3/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2B6 P20813 1/20 0.49
PDE10A Q9Y233 1/20 0.45
PLK4 O00444 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
Hydrochloric Acid SCHEMBL6776875 0.98 PIK3CG (0.54) PIK3CGPELI1CA12ALDH1A1CA1
SCHEMBL3784572 0.88 MCL1 (0.51) CA12ALDH1A1CA1CA2CA7
SCHEMBL5685565 0.86 CA12 (0.56) PIK3CGPELI1CA12ALDH1A1CA1
SCHEMBL6573001 0.85 CA12 (0.54) PIK3CGCA12ALDH1A1CA1CA2
SCHEMBL17754365 0.84 PELI1 (0.61) PELI1CA12ALDH1A1CA2CA9
Hydrochloric Acid SCHEMBL6574107 0.83 CA12 (0.52) PIK3CGCA12ALDH1A1CA1CA2
SCHEMBL6572268 0.82 PDE10A (0.50) PIK3CGPELI1CA12ALDH1A1CA1
SCHEMBL900806 0.82 BACE1 (0.62) PELI1ALDH1A1CA1CA2TDP1
SCHEMBL30230742 0.82 BACE1 (0.62) PELI1ALDH1A1CA1CA2TDP1
SCHEMBL2957667 0.81 HSD17B1 (0.50) PIK3CGCA12ALDH1A1CA1CA2

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 6 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
EP-1208077-A1 2-HYDROXY-5-AMINO-BIPHENYL-DERIVATIVES AND OXIDATIVE HAIR COLOURING AGENTS CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2002-05-29 EP disclosed
WO-2002002507-A1 2-HYDROXY-5-AMINO-BIPHENYL-DERIVATIVES AND OXIDATIVE HAIR COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-01-10 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-20020166180-A1 2-hydroxy-5-amino-biphenyl-derivatives and oxidative hair colouring agents containing said compounds AHR, KRT18, HMOX2 PIK3CG 2287/4885PELI1 1453/4885CA12 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.