SCHEMBL5844871

SCHEMBL5844871

Nc1ccc(-c2ccccc2C(F)(F)F)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.52
CYP3A4 P08684 2/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
AR P10275 2/20 0.50
ALOX5AP P20292 1/20 0.47
FEN1 P39748 1/20 0.47
PGR P06401 1/20 0.47
TRPA1 O75762 3/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
SCN9A Q15858 7/20 0.44
SCN5A Q14524 1/20 0.44
APP P05067 1/20 0.44
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
PIK3R1 P27986 1/20 0.41
PIK3CA P42336 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 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
SCHEMBL11900334 0.84 BACE1 (0.56) BACE1CYP3A4ARALOX5APFEN1
SCHEMBL29655141 0.84 BACE1 (0.56) BACE1CYP3A4ARALOX5APFEN1
SCHEMBL28871380 0.82 HSD17B10 (0.70) BACE1CYP3A4ALOX15HSD17B10APP
SCHEMBL7459304 0.81 ALOX15 (0.53) BACE1CYP3A4ALOX15HSD17B10AR
SCHEMBL22453119 0.80 BACE1 (0.52) BACE1CYP3A4ARALOX5APFEN1
SCHEMBL3786765 0.78 HSD17B10 (0.64) BACE1CYP3A4ALOX15HSD17B10ALOX5AP
SCHEMBL3137327 0.78 CYP3A4 (0.48) BACE1CYP3A4ALOX15HSD17B10AR
SCHEMBL5843391 0.77 ALOX15 (0.57) BACE1CYP3A4ALOX15HSD17B10ALOX5AP
SCHEMBL29878768 0.77 ALOX15 (0.57) BACE1CYP3A4ALOX15HSD17B10ALOX5AP
SCHEMBL29518515 0.77 BACE1 (0.49) BACE1ARALOX5APFEN1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-115124485-B Sulfoxide-containing benzoxazole derivative, and preparation method and application thereof 中国医学科学院药物研究所 2023-12-15 CN disclosed
CN-115697977-A Benzopyrrole derivative and organic electroluminescent element comprising same 株式会社乐普拓 2023-02-03 CN disclosed
CN-115124485-A Benzoxazole derivatives containing sulfoxide as well as preparation method and application thereof 中国医学科学院药物研究所 2022-09-30 CN disclosed
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 BACE1 3551/4885CYP3A4 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.