SCHEMBL5843743

SCHEMBL5843743

Nc1ccc(-c2cc(F)ccc2F)cc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX15 P16050 1/20 0.55
ALDH1A1 P00352 2/20 0.45
CA5A P35218 2/20 0.45
CA9 Q16790 2/20 0.45
CA5B Q9Y2D0 2/20 0.45
CA3 P07451 1/20 0.45
CA6 P23280 1/20 0.45
CA14 Q9ULX7 1/20 0.45
NPC1 O15118 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
USP2 O75604 1/20 0.41
DHFR P00374 1/20 0.41
LMNA P02545 1/20 0.41
TTR P02766 1/20 0.41

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
SCHEMBL5843640 0.86 HSD17B10 (0.55) HSD17B10CYP3A4ALOX15ALDH1A1CA5A
SCHEMBL20495290 0.86 NPC1 (0.49) HSD17B10CYP3A4ALOX15ALDH1A1CA5A
SCHEMBL5843930 0.84 ALOX15 (0.53) HSD17B10CYP3A4ALOX15ALDH1A1KDM4E
SCHEMBL5844951 0.83 CYP3A4 (0.52) HSD17B10CYP3A4ALOX15ALDH1A1NPC1
SCHEMBL5843781 0.83 CYP3A4 (0.52) HSD17B10CYP3A4ALOX15ALDH1A1CA9
SCHEMBL5843762 0.83 ALOX15 (0.52) HSD17B10CYP3A4ALOX15ALDH1A1NPC1
SCHEMBL29878768 0.80 ALOX15 (0.57) HSD17B10CYP3A4ALOX15ALDH1A1KDM4E
SCHEMBL5843391 0.80 ALOX15 (0.57) HSD17B10CYP3A4ALOX15ALDH1A1KDM4E
SCHEMBL5843600 0.79 HSD17B10 (0.52) HSD17B10CYP3A4ALOX15ALDH1A1NPC1
SCHEMBL5845306 0.79 HSD17B10 (0.52) HSD17B10CYP3A4ALOX15ALDH1A1NPC1

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 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.