SCHEMBL6011208

SCHEMBL6011208

Cc1cc(O)cc(-c2ccc(N)cc2N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
CNR1 P21554 6/20 0.41
CNR2 P34972 6/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
CASP1 P29466 3/20 0.41
TSHR P16473 3/20 0.38
PDE10A Q9Y233 1/20 0.38
GAA P10253 2/20 0.36
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CASP7 P55210 1/20 0.33
PTGS2 P35354 1/20 0.33
HCAR1 Q9BXC0 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL6011414 0.89 CASP1 (0.50) ALDH1A1CNR1CNR2CASP1TSHR
SCHEMBL6011521 0.87 ABL1 (0.42) ALDH1A1CASP1TSHRPDE10AGAA
SCHEMBL6011277 0.83 ALDH1A1 (0.48) ALDH1A1CNR1CNR2CASP1TSHR
SCHEMBL6011422 0.83 ALDH1A1 (0.40) ALDH1A1CASP1TSHRPDE10AGAA
SCHEMBL6572338 0.82 PDE10A (0.52) ALDH1A1CNR1CNR2HSD17B1HSD17B2
SCHEMBL5688145 0.79 TSHR (0.56) ALDH1A1CNR1CNR2CASP1TSHR
SCHEMBL6011355 0.78 ABL1 (0.45) ALDH1A1GAAHSD17B10KDM4EMAPT
Hydrochloric Acid SCHEMBL5687962 0.77 TSHR (0.54) ALDH1A1CNR1CNR2CASP1TSHR
SCHEMBL7119998 0.77 SMN1; SMN2 (0.46) ALDH1A1GAAHSD17B10KDM4ELMNA
SCHEMBL6011409 0.76 ALDH1A1 (0.42) ALDH1A1CNR1CNR2CASP1GAA

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 120/4885CNR1 4285/4885CNR2 4387/4885

“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.