SCHEMBL6573783

SCHEMBL6573783

COc1c(C)cccc1-c1cc(N)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.50
TSHR P16473 2/20 0.42
CASP1 P29466 2/20 0.42
PLA2G7 Q13093 1/20 0.38
ANPEP P15144 1/20 0.38
DPP4 P27487 1/20 0.38
CES2 O00748 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 4/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36

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
SCHEMBL6572528 0.84 GAA (0.46) PDE10ATSHRCES2ALDH1A1CYP3A4
SCHEMBL6011402 0.81 CASP1 (0.42) TSHRCASP1PLA2G7ANPEPDPP4
SCHEMBL6572412 0.80 PDE10A (0.57) PDE10ATSHRCASP1PLA2G7ANPEP
SCHEMBL6572360 0.80 PDE10A (0.57) PDE10ATSHRCASP1PLA2G7ANPEP
SCHEMBL6572188 0.80 PDE10A (0.61) PDE10ATSHRCASP1PLA2G7ANPEP
Hydrochloric Acid SCHEMBL6788845 0.79 PDE10A (0.55) PDE10ATSHRCASP1PLA2G7ANPEP
Hydrochloric Acid SCHEMBL6788783 0.78 PDE10A (0.59) PDE10ATSHRCASP1PLA2G7ANPEP
SCHEMBL6573444 0.78 PDE10A (0.50) PDE10ATSHRCASP1CES2ALDH1A1
SCHEMBL6573367 0.78 PDE10A (0.63) PDE10ATSHRCASP1PLA2G7ANPEP
SCHEMBL6572542 0.76 CA1 (0.52) PDE10ATSHRCES2ALDH1A1GAA

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 PDE10A 4026/4885TSHR 4526/4885CASP1 1450/4885

“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.