SCHEMBL6011394

SCHEMBL6011394

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
CYP3A4 P08684 4/20 0.56
MAPK1 P28482 2/20 0.54
GAA P10253 1/20 0.54
HTT P42858 1/20 0.54
GFER P55789 1/20 0.54
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP1A1 P04798 3/20 0.51
CYP1B1 Q16678 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2E1 P05181 1/20 0.51
CYP2C8 P10632 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2A6 P11509 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP4B1 P13584 1/20 0.51
CYP2B6 P20813 1/20 0.51

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
SCHEMBL6011927 0.89 TDP1 (0.54) ALDH1A1CYP3A4MAPK1GAAMEN1
SCHEMBL6011530 0.89 MAPT (0.52) ALDH1A1CYP3A4MAPK1GAAHTT
SCHEMBL6011173 0.88 ALDH1A1 (0.55) ALDH1A1CYP3A4MAPK1GAAHTT
Hydrochloric Acid SCHEMBL6574984 0.86 ALDH1A1 (0.62) ALDH1A1CYP3A4MAPK1GAAHTT
SCHEMBL5688103 0.84 ALDH1A1 (0.53) ALDH1A1CYP3A4MAPK1GAAHTT
SCHEMBL6011418 0.84 ALDH1A1 (0.48) ALDH1A1CYP3A4MAPK1GAAMEN1
Hydrochloric Acid SCHEMBL5687739 0.83 ALDH1A1 (0.53) ALDH1A1CYP3A4MAPK1GAAHTT
SCHEMBL29589241 0.82 CYP1A1 (0.69) ALDH1A1CYP3A4MAPK1GAAHTT
SCHEMBL196689 0.82 CYP1A1 (0.69) ALDH1A1CYP3A4MAPK1GAAHTT
SCHEMBL6011542 0.82 ALDH1A1 (0.55) ALDH1A1CYP3A4MAPK1GAAHTT

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 4 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
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

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 120/4885CYP3A4 3726/4885MAPK1 116/4885

“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.