SCHEMBL6011711

SCHEMBL6011711

Cc1cc(-c2ccc(N)cc2N)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.62
▸ CASP1 P29466 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ HSD17B1 P14061 3/20 0.43
▸ HSD17B2 P37059 3/20 0.43
▸ TLR8 Q9NR97 4/20 0.43
▸ ESR2 Q92731 2/20 0.42
▸ ESR1 P03372 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ AR P10275 1/20 0.40
▸ FYN P06241 1/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 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
SCHEMBL6011519 0.86 CASP1 (0.62) PDE10ACASP1TSHRESR2ESR1
SCHEMBL6011290 0.83 ALDH1A1 (0.58) PDE10ACASP1TSHRTDP1ALDH1A1
SCHEMBL6011178 0.83 ALDH1A1 (0.52) PDE10ACASP1TSHRTDP1ALDH1A1
SCHEMBL6011456 0.83 ALDH1A1 (0.61) PDE10ACASP1TSHRTDP1ALDH1A1
SCHEMBL6011360 0.83 APP (0.52) PDE10ACASP1TDP1ALDH1A1CYP3A4
SCHEMBL6573729 0.80 PDE10A (0.59) PDE10ACASP1TSHRHSD17B1HSD17B2
SCHEMBL6011262 0.79 CASP1 (0.68) PDE10ACASP1TSHRTDP1ALDH1A1
SCHEMBL6011491 0.79 CYP3A4 (0.61) PDE10ACASP1TSHRESR2TDP1
SCHEMBL6011444 0.79 FYN (0.51) TSHRTDP1ALDH1A1CYP3A4FYN
Hydrochloric Acid SCHEMBL6776669 0.79 PDE10A (0.57) PDE10ACASP1TSHRHSD17B1HSD17B2

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 PDE10A 4234/4885CASP1 967/4885TSHR 4772/4885

“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.

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