SCHEMBL933665

SCHEMBL933665

CC(F)(F)c1ccc(C=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.48
ALDH1A1 P00352 7/20 0.43
TYR P14679 1/20 0.43
CYP2A13 Q16696 1/20 0.43
HSD17B10 Q99714 1/20 0.42
ALDH5A1 P51649 1/20 0.42
ABAT P80404 1/20 0.42
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
ALDH1A3 P47895 2/20 0.40
KIF11 P52732 1/20 0.40
ALDH3A1 P30838 1/20 0.40
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.36

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
SCHEMBL14653580 0.82 PDE2A (0.47) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
SCHEMBL31433123 0.80 CYP2A6 (0.52) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
SCHEMBL6854404 0.80 CYP2A6 (0.52) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
SCHEMBL4946530 0.80 CYP2A6 (0.52) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
SCHEMBL61631 0.80 CYP1A2 (0.54) CYP2A6ALDH1A1HSD17B10ALDH5A1ABAT
SCHEMBL6852179 0.80 CYP2A6 (0.46) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
SCHEMBL31433071 0.80 CYP2A6 (0.52) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
SCHEMBL43060 0.80 EPHX2 (0.56) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
SCHEMBL12299036 0.79 TSHR (0.40) ALDH1A1TYRHSD17B10KIF11
SCHEMBL13675477 0.79 HSD11B1 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107311846-B Gem difluoroethyl substituted stilbene and diphenylethane derivatives, and preparation method and application thereof 上海华理生物医药股份有限公司 2022-05-13 CN claimed
CN-107311846-A Gem difluoroethyl substituted stilbene and diphenylethane derivatives, and preparation method and application thereof 上海应用技术大学 2017-11-03 CN claimed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-107311846-B Gem difluoroethyl substituted stilbene and diphenylethane derivatives, and preparation method and application thereof 上海华理生物医药股份有限公司 2022-05-13 CN disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
WO-2020035556-A1 NOVEL HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA A/S (DK) 2020-02-20 WO disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
WO-2019020029-A1 GEM-DIFLUOROETHYL SUBSTITUTED STILBENE AND DIPHENYLETHANE DERIVATIVES, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海华理生物医药股份有限公司 2019-01-31 WO disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
EP-2881384-B1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2018-05-30 EP disclosed
EP-2881384-B1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2018-05-30 EP disclosed
WO-2011004017-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE VIVALIS (FR) 2011-01-13 WO disclosed
EP-2215077-A1 AZETIDINYL G-PROTEIN COUPLED RECEPTOR AGONISTS Prosidion Limited (GB) 2010-08-11 EP disclosed
WO-2010083246-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-07-22 WO disclosed
WO-2010083246-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-07-22 WO disclosed
WO-2010081145-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLAXOSMITHKLINE LLC (US) 2010-07-15 WO disclosed
EP-1789402-B1 2-{-3-2-(PHENYL)-OXAZOL-4-YLMETHOXYMETHYL!-CYCLOHEXYLMETHOXY };-PROPIONIC ACID DERIVATIVES USED AS PPAR LIGANDES (PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS) FOR THE TREATMENT OF HYPERLIPIDAEMIE AND DIABETES SANOFI AVENTIS DEUTSCHLAND (DE) 2009-11-18 EP disclosed
US-20090197880-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-08-06 US disclosed
WO-2009050522-A1 AZETIDINYL G-PROTEIN COUPLED RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2009-04-23 WO disclosed
US-4173706-A REACTING WITH MOLYBDENUM HEXAFLUORIDE INSTITUTE NATIONAL DE RECHERCHE CHIMIQUE APPLIQUEE (FR) 1979-11-06 US 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-20090197880-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE HAVCR2, SARS1, RPL35 CYP2A6 916/4885ALDH1A1 2251/4885TYR 1182/4885

“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.