SCHEMBL1678709

SCHEMBL1678709

COC(=O)C1(c2ccc(-c3ccc(O)cc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
APP P05067 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP3A4 P08684 1/20 0.41
ESR2 Q92731 3/20 0.41
HSD17B1 P14061 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
MGAM O43451 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
SCHEMBL1464894 0.95 CA12 (0.44) HRH3APPCYP2C19CYP2D6CYP2C9
SCHEMBL23163646 0.88 HRH3 (0.47) HRH3ESR2KDM4EMAPTESR1
SCHEMBL14710263 0.85 HRH3 (0.45) HRH3HSD11B1LPAR1
SCHEMBL14712065 0.85 HRH3 (0.45) HRH3MAPTHSD11B1LPAR1
SCHEMBL23164033 0.83 ALDH1A1 (0.47) CYP2C19CYP2C9CYP3A4POLBMAPT
SCHEMBL14711330 0.83 HRH3 (0.44) HRH3KDM4EMAPTHSD11B1LPAR1
SCHEMBL17077055 0.82 OPRM1 (0.56)
SCHEMBL844453 0.80 OPRM1 (0.53) HRH3CYP2C19CYP2D6CYP2C9CYP3A4
SCHEMBL29143486 0.80 ALDH1A1 (0.42) HRH3HSD11B1LPAR1
SCHEMBL25315241 0.79 CA12 (0.40) HRH3CYP2C19CYP2C9CYP3A4ESR2

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
CN-116925059-A Novel isoxazole FXR agonist, preparation method thereof and application thereof as medicine 广东药科大学 2023-10-24 CN disclosed
US-20150259295-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS LPAR ANTAGONISTS HOFFMANN-LA ROCHE INC. 2015-09-17 US disclosed
US-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed
US-20080255111-A1 Tissue Factor Production Inhibitor SANKYO COMPANY LIMITED (JP) 2008-10-16 US disclosed
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP disclosed
EP-1764075-A1 TISSUE FACTOR PRODUCTION INHIBITOR Sankyo Company, Limited (JP) 2007-03-21 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 (3 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-20080255111-A1 Tissue Factor Production Inhibitor PTAFR, PLAT, TFPI HRH3 2474/4885APP 99/4885CYP2C19 2637/4885
US-20150259295-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS LPAR ANTAGONISTS LPAR3, LPAR1, LPAR2 HRH3 479/4885APP 4221/4885CYP2C19 1876/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 HRH3 527/4885APP 1870/4885CYP2C19 238/4885

“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.