SCHEMBL6787237

SCHEMBL6787237

Nc1cc(O)cc(-c2cc(N)ccc2O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.47
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
TDP1 Q9NUW8 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CA14 Q9ULX7 2/20 0.40
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CASP1 P29466 4/20 0.38
ALOX15 P16050 4/20 0.38
HSD17B10 Q99714 4/20 0.38
THRB P10828 3/20 0.38
CYP3A4 P08684 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
CASP7 P55210 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38

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
SCHEMBL6572268 0.92 PDE10A (0.50) PDE10ACA1CA2TDP1ALDH1A1
SCHEMBL6572312 0.90 PDE10A (0.52) PDE10ACA1CA2TDP1ALDH1A1
SCHEMBL6571983 0.84 ALDH1A1 (0.40) PDE10ACA1CA2TDP1ALDH1A1
SCHEMBL6572338 0.83 PDE10A (0.52) PDE10ACA1CA2TDP1ALDH1A1
SCHEMBL6011422 0.80 ALDH1A1 (0.40) PDE10ACA1CA2TDP1ALDH1A1
SCHEMBL6574009 0.79 USP7 (0.50) PDE10ACA1CA2ALDH1A1CA14
SCHEMBL3789852 0.79 PDE10A (0.54) PDE10ACA1CA2TDP1ALDH1A1
SCHEMBL6572438 0.78 PIK3CG (0.56) PDE10ACA1CA2TDP1ALDH1A1
SCHEMBL30880219 0.78 PDE10A (0.64) PDE10ACA1CA2TDP1ALDH1A1
SCHEMBL29518540 0.78 PDE10A (0.64) PDE10ACA1CA2TDP1ALDH1A1

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-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
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 PDE10A 4026/4885CA1 4611/4885CA2 2993/4885

“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.