SCHEMBL3897640

SCHEMBL3897640

Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1O

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.65
ALOX15 P16050 1/20 0.65
HSD17B10 Q99714 1/20 0.65
KIF11 P52732 17/20 0.55
HDAC2 Q92769 1/20 0.50
SLC6A2 P23975 1/20 0.45
P2RY14 Q15391 1/20 0.45

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
SCHEMBL5843685 0.84 ALOX15 (0.59) CYP3A4ALOX15HSD17B10KIF11
SCHEMBL1025296 0.84 ALDH1A1 (0.50) CYP3A4ALOX15HSD17B10KIF11
SCHEMBL6823132 0.84 ALDH1A1 (0.50) CYP3A4ALOX15HSD17B10KIF11
SCHEMBL30313807 0.83 ALOX15 (0.94) CYP3A4ALOX15HSD17B10
SCHEMBL20945278 0.83 ALOX15 (0.94) CYP3A4ALOX15HSD17B10
SCHEMBL3903661 0.82 KIF11 (0.61) KIF11HDAC2
SCHEMBL23924225 0.81 CYP3A4 (1.00) CYP3A4ALOX15HSD17B10
SCHEMBL29365557 0.81 CYP3A4 (1.00) CYP3A4ALOX15HSD17B10
SCHEMBL105866 0.81 CYP3A4 (1.00) CYP3A4ALOX15HSD17B10
SCHEMBL29549758 0.81 CYP3A4 (1.00) CYP3A4ALOX15HSD17B10

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 20 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
EP-1706111-A4 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORP (US) 2009-03-04 EP disclosed
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
EP-1874753-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
US-20070265345-A1 Novel Biphenyl Compounds And Their Use SMITHKLINE BEECHAM CORPORATION (US) 2007-11-15 US disclosed
US-20070142460-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2007-06-21 US disclosed
EP-1778214-A2 NOVEL BIPHENYL COMPOUNDS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2007-05-02 EP disclosed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 WO disclosed
US-7122061-B2 Agents for dyeing keratin fibers, containing 4-aminobiphenyl-3-ol-derivatives WELLA AG (DE) 2006-10-17 US disclosed
EP-1706111-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-04 EP disclosed
WO-2006020358-A2 NOVEL BIPHENYL COMPOUNDS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2006-02-23 WO 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-2005062847-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-14 WO 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 (4 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-20070265345-A1 Novel Biphenyl Compounds And Their Use KIF5B, KIF5C, KIF5A CYP3A4 2663/4885ALOX15 4599/4885HSD17B10 1127/4885
US-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 CYP3A4 4722/4885ALOX15 2439/4885HSD17B10 1226/4885
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
US-20070142460-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 CYP3A4 4658/4885ALOX15 2250/4885HSD17B10 1181/4885

“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.