SCHEMBL5843582

SCHEMBL5843582

Cc1ccc(-c2ccc(N)c(O)c2)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.63
ALOX15 P16050 1/20 0.63
HSD17B10 Q99714 1/20 0.63
ESR2 Q92731 3/20 0.52
TSHR P16473 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
CD44 P16070 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
KDM4E B2RXH2 2/20 0.41
CASP1 P29466 1/20 0.39
KMO O15229 2/20 0.39
XDH P47989 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
ALOX5 P09917 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 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
SCHEMBL5845416 0.85 CYP3A4 (0.63) CYP3A4ALOX15HSD17B10ESR2TSHR
SCHEMBL14803748 0.84 ALOX15 (0.74) CYP3A4ALOX15HSD17B10ESR2TSHR
SCHEMBL9348747 0.84 CYP3A4 (0.74) CYP3A4ALOX15HSD17B10ESR2TSHR
SCHEMBL5843666 0.82 CYP3A4 (0.71) CYP3A4ALOX15HSD17B10ESR2TSHR
SCHEMBL5845428 0.82 ALOX15 (0.71) CYP3A4ALOX15HSD17B10ESR2TSHR
SCHEMBL12123510 0.80 ESR2 (0.61) CYP3A4HSD17B10ESR2TSHRKDM4E
SCHEMBL8243139 0.80 ALDH1A1 (0.74) CYP3A4ALOX15HSD17B10ESR2TSHR
SCHEMBL19886445 0.80 CYP3A4 (0.56) CYP3A4ESR2TSHRALDH1A1MAPK1
SCHEMBL23924225 0.79 CYP3A4 (1.00) CYP3A4ALOX15HSD17B10ESR2TSHR
SCHEMBL29365557 0.79 CYP3A4 (1.00) CYP3A4ALOX15HSD17B10ESR2TSHR

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
US-7122061-B2 Agents for dyeing keratin fibers, containing 4-aminobiphenyl-3-ol-derivatives WELLA AG (DE) 2006-10-17 US claimed
US-20050155160-A1 Agents for dyeing keratin fibers, containing 4-amino-biphenyl-3-ol-derivatives WELLA AKTIENGESELLSCHAFT (DE) 2005-07-21 US 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.