SCHEMBL1661764

SCHEMBL1661764

COC(=O)c1cccc(-c2ccc(O)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.66
CA9 Q16790 3/20 0.66
CA1 P00915 2/20 0.66
CA2 P00918 2/20 0.66
ERN1 O75460 4/20 0.64
PLAU P00749 3/20 0.59
CA7 P43166 1/20 0.58
CA14 Q9ULX7 1/20 0.58
EGFR P00533 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
P4HB P07237 1/20 0.55
FNTA P49354 1/20 0.54
FNTB P49356 1/20 0.54
PGGT1B P53609 1/20 0.54
GABRG2 P18507 1/20 0.54
GABRB3 P28472 1/20 0.54
GABRA5 P31644 1/20 0.54
GABRA3 P34903 1/20 0.54
ESR1 P03372 1/20 0.53

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
SCHEMBL30443216 1.00 CA12 (0.66) CA12CA9CA1CA2ERN1
SCHEMBL27715902 0.91 CA12 (0.71) CA12CA9CA1CA2ERN1
SCHEMBL68931 0.89 CA12 (0.69) CA12CA9CA1CA2ERN1
SCHEMBL67941 0.89 CA12 (0.68) CA12CA9CA1CA2ERN1
SCHEMBL6434807 0.88 ERN1 (0.61) CA12CA9CA1CA2ERN1
SCHEMBL1221576 0.87 TSHR (0.67) CA12CA9CA1CA2ERN1
SCHEMBL29410906 0.87 TSHR (0.67) CA12CA9CA1CA2ERN1
SCHEMBL1180166 0.87 PLAU (0.61) CA12CA9CA1CA2ERN1
SCHEMBL8444075 0.86 ERN1 (0.60) CA12CA9CA1CA2ERN1
SCHEMBL514 0.86 CA12 (0.66) CA12CA9CA1CA2ERN1

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023233346-A1 CHOLESTEROL DERIVATIVES AND THEIR USES PRECISION BIO-THERAPEUTICS S.R.L. (IT) 2023-12-07 WO disclosed
EP-4276092-A1 COMPOUND LIBRARY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-15 EP disclosed
EP-4276092-A1 COMPOUND LIBRARY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-15 EP disclosed
US-20230357159-A1 QUINOLINE COMPOUNDS AS SELECTIVE AND/OR DUAL MODULATORS OF BILE ACID RECEPTORS AND LEUKOTRIENE CYSTEINYL RECEPTORS PREC BIO THERAPEUTICS S R L (IT) 2023-11-09 US disclosed
CN-116783160-A Libraries of compounds 中外制药株式会社 2023-09-19 CN disclosed
EP-3823960-B1 ISOXAZOLE AS FXR RECEPTOR AGONISTS BAR PHARMACEUTICALS SOC A RESPONSABILITA LIMITATA (IT) 2022-09-14 EP disclosed
WO-2022149617-A1 COMPOUND LIBRARY 中外製薬株式会社 2022-07-14 WO disclosed
US-11332450-B2 Isoxazole as FXR receptor agonists BAR PHARMACEUTICALS SOCIETA' A RESPONSABILITA' LIMITATA (IT) 2022-05-17 US disclosed
US-20190211045-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS UNIV WASHINGTON (US) 2019-07-11 US disclosed
US-20190211045-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS UNIV WASHINGTON (US) 2019-07-11 US disclosed
US-20120309701-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS THE WASHINGTON UNIVERSITY (US) 2012-12-06 US disclosed
US-20120309701-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS THE WASHINGTON UNIVERSITY (US) 2012-12-06 US disclosed
US-20120309701-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS THE WASHINGTON UNIVERSITY (US) 2012-12-06 US disclosed
EP-2490530-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS The Washington University (US) 2012-08-29 EP disclosed
WO-2011050323-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS THE WASHINGTON UNIVERSITY (US) 2011-04-28 WO disclosed
US-5977105-A Compounds ASTRA PHARMAEUTICALS LTD. (GB) 1999-11-02 US disclosed
EP-0865431-A2 COMPOUNDS Astra Pharmaceuticals Limited (GB) 1998-09-23 EP disclosed
WO-1997020815-A1 COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-06-12 WO disclosed
US-5298593-A Polymerization of ester monomer, aromatic dicarboxylic acid, and oxyaromatic carboxylic acid MITSUBISHI PETROCHEMICAL COMPANY, LTD. (JP) 1994-03-29 US disclosed
EP-0520428-A2 Method of producing thermotropic liquid crystalline polyester MITSUBISHI CHEMICAL CORPORATION (JP) 1992-12-30 EP 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-20230357159-A1 QUINOLINE COMPOUNDS AS SELECTIVE AND/OR DUAL MODULATORS OF BILE ACID RECEPTORS AND LEUKOTRIENE CYSTEINYL RECEPTORS GPBAR1, CYSLTR1, CYSLTR2 CA12 4101/4885CA9 4205/4885CA1 2945/4885
US-20120309701-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS MMP8, ELANE, GUSB CA12 335/4885CA9 205/4885CA1 1322/4885
US-11332450-B2 Isoxazole as FXR receptor agonists NR1H4, FXR1, GPBAR1 CA12 3957/4885CA9 3374/4885CA1 2985/4885
US-20190211045-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS MMP8, ELANE, GUSB CA12 335/4885CA9 205/4885CA1 1322/4885

“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.