SCHEMBL6011173

SCHEMBL6011173

COc1ccc(OC)c(-c2ccc(N)cc2N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
MEN1 O00255 2/20 0.55
MAPT P10636 2/20 0.55
KMT2A Q03164 2/20 0.55
THRB P10828 1/20 0.55
CYP3A4 P08684 5/20 0.50
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CYP19A1 P11511 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
MAPK1 P28482 2/20 0.45
HDAC4 P56524 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
DHFR P00374 2/20 0.45
ADRA1A P35348 1/20 0.45

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
SCHEMBL6011487 0.89 ALDH1A1 (0.47) ALDH1A1MEN1MAPTKMT2ATHRB
SCHEMBL6011394 0.88 ALDH1A1 (0.56) ALDH1A1MEN1MAPTKMT2ATHRB
SCHEMBL6011927 0.87 TDP1 (0.54) ALDH1A1MEN1MAPTKMT2ATHRB
SCHEMBL6572288 0.86 ALDH1A1 (0.55) ALDH1A1MEN1MAPTKMT2ATHRB
SCHEMBL6011418 0.86 ALDH1A1 (0.48) ALDH1A1MEN1MAPTKMT2ATHRB
Hydrochloric Acid SCHEMBL6571234 0.85 ALDH1A1 (0.58) ALDH1A1MEN1MAPTKMT2ATHRB
SCHEMBL5684954 0.85 HDAC4 (0.51) ALDH1A1MEN1MAPTKMT2ATHRB
Hydrochloric Acid SCHEMBL5685564 0.83 ALDH1A1 (0.51) ALDH1A1MEN1MAPTKMT2ATHRB
SCHEMBL6011534 0.83 CASP1 (0.48) ALDH1A1MEN1MAPTKMT2ATHRB
SCHEMBL6011391 0.83 ALDH1A1 (0.56) ALDH1A1MEN1MAPTKMT2ATHRB

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 120/4885MEN1 3507/4885MAPT 463/4885

“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.