SCHEMBL5845306

SCHEMBL5845306

Cc1cc(F)ccc1-c1ccc(N)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.52
CYP3A4 P08684 2/20 0.52
ALOX15 P16050 1/20 0.52
ESR2 Q92731 3/20 0.41
ESR1 P03372 2/20 0.41
NMT1 P30419 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
DHFR P00374 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.39
TTR P02766 1/20 0.39
ALB P02768 1/20 0.39
HMGB1 P09429 1/20 0.39
HPGD P15428 1/20 0.39
CXCL12 P48061 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6373101 0.94 HSD17B10 (0.48) HSD17B10CYP3A4ALOX15ESR2ESR1
SCHEMBL5844951 0.87 CYP3A4 (0.52) HSD17B10CYP3A4ALOX15ALDH1A1ABL1
SCHEMBL5843640 0.83 HSD17B10 (0.55) HSD17B10CYP3A4ALOX15ESR2ESR1
SCHEMBL5845352 0.83 ALOX15 (0.55) HSD17B10CYP3A4ALOX15ESR2ESR1
SCHEMBL23137331 0.82 ALOX15 (0.64) HSD17B10CYP3A4ALOX15ESR2ESR1
SCHEMBL5845314 0.80 CYP3A4 (0.52) HSD17B10CYP3A4ALOX15ESR2ESR1
SCHEMBL5843600 0.80 HSD17B10 (0.52) HSD17B10CYP3A4ALOX15ESR2ESR1
SCHEMBL5843743 0.79 HSD17B10 (0.55) HSD17B10CYP3A4ALOX15ESR2ESR1
SCHEMBL26976334 0.79 ALOX15 (0.59) HSD17B10CYP3A4ALOX15ESR2ESR1
SCHEMBL5843910 0.77 ALOX15 (0.57) HSD17B10CYP3A4ALOX15ALDH1A1KDM4E

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 7 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
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 HSD17B10 913/4885CYP3A4 835/4885ALOX15 3006/4885

“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.