SCHEMBL5845462

SCHEMBL5845462

Nc1ccc(-c2cccc(Cl)c2Cl)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TSHR P16473 2/20 0.44
APP P05067 1/20 0.41
ESR2 Q92731 1/20 0.41
CNR2 P34972 4/20 0.40
SCN9A Q15858 2/20 0.39
PTGES2 Q9H7Z7 1/20 0.39
NUDT1 P36639 2/20 0.39
CNR1 P21554 1/20 0.39
AHR P35869 1/20 0.39
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAOA P21397 1/20 0.38
ADRA1A P35348 1/20 0.38
SCN4A P35499 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 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
SCHEMBL5842547 0.86 CYP3A4 (0.57) CYP3A4ALOX15HSD17B10TSHRAPP
SCHEMBL5843816 0.83 CYP3A4 (0.50) CYP3A4ALOX15HSD17B10APPESR2
SCHEMBL5843610 0.83 CYP3A4 (0.50) CYP3A4ALOX15HSD17B10TSHRAPP
SCHEMBL5845044 0.83 CYP3A4 (0.50) CYP3A4ALOX15HSD17B10TSHRAPP
SCHEMBL5843592 0.83 CYP3A4 (0.50) CYP3A4ALOX15HSD17B10TSHRAPP
SCHEMBL5844230 0.80 ALOX15 (0.59) CYP3A4ALOX15HSD17B10TSHRAPP
SCHEMBL28871380 0.79 HSD17B10 (0.70) CYP3A4ALOX15HSD17B10TSHRAPP
SCHEMBL5843433 0.77 CYP3A4 (0.40) CYP3A4ALOX15HSD17B10TSHRESR2
SCHEMBL6375239 0.76 CYP3A4 (0.42) CYP3A4ALOX15HSD17B10APPESR2
SCHEMBL3786765 0.76 HSD17B10 (0.64) CYP3A4ALOX15HSD17B10TSHRAPP

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122061-B2 Agents for dyeing keratin fibers, containing 4-aminobiphenyl-3-ol-derivatives WELLA AG (DE) 2006-10-17 US claimed
EP-1562539-A1 AGENTS FOR DYEING KERATIN FIBERS, CONTAINING 4-AMINO-BIPHENYL-3-OL-DERIVATIVES Wella Aktiengesellschaft (DE) 2005-08-17 EP claimed
US-20050155160-A1 Agents for dyeing keratin fibers, containing 4-amino-biphenyl-3-ol-derivatives WELLA AKTIENGESELLSCHAFT (DE) 2005-07-21 US claimed
WO-2004041226-A1 AGENTS FOR DYEING KERATIN FIBERS, CONTAINING 4-AMINO-BIPHENYL-3-OL-DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2004-05-21 WO claimed
US-7122061-B2 Agents for dyeing keratin fibers, containing 4-aminobiphenyl-3-ol-derivatives WELLA AG (DE) 2006-10-17 US disclosed
EP-1562539-A1 AGENTS FOR DYEING KERATIN FIBERS, CONTAINING 4-AMINO-BIPHENYL-3-OL-DERIVATIVES Wella Aktiengesellschaft (DE) 2005-08-17 EP disclosed
US-20050155160-A1 Agents for dyeing keratin fibers, containing 4-amino-biphenyl-3-ol-derivatives WELLA AKTIENGESELLSCHAFT (DE) 2005-07-21 US disclosed
WO-2004041226-A1 AGENTS FOR DYEING KERATIN FIBERS, CONTAINING 4-AMINO-BIPHENYL-3-OL-DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2004-05-21 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-20050155160-A1 Agents for dyeing keratin fibers, containing 4-amino-biphenyl-3-ol-derivatives KRT18, CBR3, CCNB3 CYP3A4 835/4885ALOX15 3006/4885HSD17B10 913/4885

“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.