SCHEMBL6011402

SCHEMBL6011402

COc1c(C)cccc1-c1ccc(N)cc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.42
ANPEP P15144 1/20 0.40
DPP4 P27487 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 3/20 0.39
TLR8 Q9NR97 1/20 0.38
PLA2G7 Q13093 1/20 0.37
CYP19A1 P11511 1/20 0.36
SCN4A P35499 3/20 0.35
TSHR P16473 3/20 0.35
LMNA P02545 2/20 0.35
SCN1A P35498 2/20 0.35
SCN5A Q14524 2/20 0.35
SCN9A Q15858 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
NFKB1 P19838 1/20 0.35
KCNK3 O14649 1/20 0.35
CACNA1F O60840 1/20 0.35

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
SCHEMBL6011272 0.86 ALDH1A1 (0.41) CASP1ALDH1A1CYP3A4CYP19A1TSHR
SCHEMBL6011366 0.83 GAA (0.51) ALDH1A1CYP3A4CYP19A1TSHRMGAM
SCHEMBL6011377 0.82 CA1 (0.40) CASP1ALDH1A1CYP3A4CYP19A1TSHR
SCHEMBL6573783 0.81 PDE10A (0.50) CASP1ANPEPDPP4ALDH1A1CYP3A4
SCHEMBL6011533 0.79 CASP1 (0.48) CASP1ANPEPDPP4ALDH1A1CYP3A4
SCHEMBL6011236 0.79 CASP1 (0.48) CASP1ANPEPDPP4ALDH1A1CYP3A4
SCHEMBL6011421 0.78 CASP1 (0.52) CASP1ANPEPDPP4ALDH1A1CYP3A4
SCHEMBL6011746 0.77 ALDH1A1 (0.41) CASP1ALDH1A1CYP3A4CYP19A1TSHR
SCHEMBL6011221 0.77 NR3C1 (0.45) CASP1ANPEPDPP4ALDH1A1CYP3A4
SCHEMBL6011387 0.76 CASP1 (0.54) CASP1ANPEPDPP4ALDH1A1CYP3A4

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 CASP1 967/4885ANPEP 3049/4885DPP4 1300/4885

“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.