SCHEMBL6011303

SCHEMBL6011303

Cc1ccc(O)c(-c2ccc(N)cc2N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
HSD17B10 Q99714 5/20 0.53
ALOX15 P16050 4/20 0.53
PDE10A Q9Y233 1/20 0.48
CASP1 P29466 3/20 0.44
TSHR P16473 2/20 0.44
TRPA1 O75762 1/20 0.43
TDP1 Q9NUW8 4/20 0.42
TP53 P04637 3/20 0.42
IDO1 P14902 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
BACE1 P56817 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 5/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 3/20 0.39

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
SCHEMBL6029171 0.93 ALDH1A1 (0.59) ALDH1A1HSD17B10ALOX15PDE10ACASP1
SCHEMBL6011256 0.89 ALDH1A1 (0.52) ALDH1A1HSD17B10ALOX15PDE10ACASP1
SCHEMBL6572250 0.88 PDE10A (0.61) ALDH1A1HSD17B10ALOX15PDE10ACASP1
SCHEMBL6011315 0.86 PDE10A (0.52) ALDH1A1HSD17B10ALOX15PDE10ACASP1
SCHEMBL6574549 0.85 PDE10A (0.57) ALDH1A1HSD17B10ALOX15PDE10ACASP1
SCHEMBL6011538 0.84 CYP3A4 (0.54) ALDH1A1HSD17B10ALOX15PDE10ACASP1
SCHEMBL6011294 0.82 SMN1; SMN2 (0.48) ALDH1A1HSD17B10ALOX15CASP1TSHR
SCHEMBL6573646 0.81 PDE10A (0.59) ALDH1A1HSD17B10ALOX15PDE10ACASP1
SCHEMBL6572548 0.81 PDE10A (0.59) ALDH1A1HSD17B10ALOX15PDE10ACASP1
SCHEMBL6011370 0.81 NPC1 (0.47) ALDH1A1HSD17B10ALOX15PDE10ACASP1

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-1355619-B1 COLOURING AGENTS FOR KERATIN FIBRES CONTAINING (1.1'-BIPHENYL)-2.4-DIAMINE DERIVATIVES IN ADDITION TO NOVEL (1.1'-BIPHENYL)-2.4-DIAMINE-DERIVATIVES WELLA AG (DE) 2006-12-06 EP claimed
EP-1355619-B1 COLOURING AGENTS FOR KERATIN FIBRES CONTAINING (1.1'-BIPHENYL)-2.4-DIAMINE DERIVATIVES IN ADDITION TO NOVEL (1.1'-BIPHENYL)-2.4-DIAMINE-DERIVATIVES WELLA AG (DE) 2006-12-06 EP disclosed
US-7056347-B2 Coloring agents for keratin fibers containing (1,1′-biphenyl)-2,4-diamine derivatives in addition to novel (1,1′-biphenyl)-2,4-diamine-derivatives WELLA AG (DE) 2006-06-06 US disclosed
EP-1355619-A1 COLOURING AGENTS FOR KERATIN FIBRES CONTAINING (1.1'-BIPHENYL)-2.4-DIAMINE DERIVATIVES IN ADDITION TO NOVEL (1.1'-BIPHENYL)-2.4-DIAMINE-DERIVATIVES Wella Aktiengesellschaft (DE) 2003-10-29 EP disclosed
US-20030172470-A1 Colouring agents for keratin fibres containing (1.1'-biphenyl)-2.4-diamine derivatives in addition to novel (1.1'-biphenyl)-2.4-diamine-derivatives HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-09-18 US disclosed
WO-2002062307-A1 COLOURING AGENTS FOR KERATIN FIBRES CONTAINING (1.1'-BIPHENYL)-2.4-DIAMINE DERIVATIVES IN ADDITION TO NOVEL (1.1'-BIPHENYL)-2.4-DIAMINE-DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2002-08-15 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-20030172470-A1 Colouring agents for keratin fibres containing (1.1'-biphenyl)-2.4-diamine derivatives in addition to novel (1.1'-biphenyl)-2.4-diamine-derivatives KRT18, DSP, DSG1 ALDH1A1 120/4885HSD17B10 3382/4885ALOX15 4794/4885

“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.