SCHEMBL4076004

SCHEMBL4076004

C=Cc1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.46
BACE1 P56817 1/20 0.39
KDM4E B2RXH2 1/20 0.39
AR P10275 2/20 0.38
HCAR1 Q9BXC0 1/20 0.38
EPHX2 P34913 1/20 0.37
SCN4A P35499 1/20 0.37
APP P05067 1/20 0.37
PTPN5 P54829 1/20 0.35
METAP2 P50579 1/20 0.35
PDE2A O00408 2/20 0.34
TGM2 P21980 1/20 0.34
NPBWR1 P48145 1/20 0.33
DAO P14920 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL3432404 0.83 CES2 (0.46) CES2BACE1KDM4EAREPHX2
SCHEMBL4416163 0.81 CES2 (0.47) CES2BACE1KDM4EARHCAR1
SCHEMBL27965595 0.80 CES2 (0.43) CES2BACE1KDM4EARHCAR1
SCHEMBL30233883 0.79 CYP1A1 (0.43) BACE1KDM4EEPHX2SCN4APTPN5
SCHEMBL1130682 0.79 IDO1 (0.42) ARHCAR1APP
SCHEMBL25026056 0.79 CYP1A1 (0.43) BACE1KDM4EEPHX2SCN4APTPN5
SCHEMBL13523746 0.79 PDE2A (0.46) BACE1KDM4EEPHX2SCN4APTPN5
SCHEMBL472401 0.79 CES2 (0.50) CES2BACE1KDM4EHCAR1EPHX2
SCHEMBL9996772 0.79 CES2 (0.46) CES2BACE1KDM4EARHCAR1
SCHEMBL9996686 0.78 PDE2A (0.49) BACE1KDM4EEPHX2SCN4APDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4420225-A Lens of a homo- or copolymer of a fluorine containing styrene polymer BAYER AKTIENGESELLSCHAFT (DE) 1983-12-13 US claimed
EP-0025159-A2 Use of styrene polymers for the preparation of optical system BAYER AG (DE) 1981-03-18 EP claimed
CN-109796316-A Gem-difluoromethyl compound and preparation method thereof 南京工业大学 2019-05-24 CN disclosed
EP-2019120-B1 BLOCK COPOLYMERS NIPPON SODA CO (JP) 2016-04-13 EP disclosed
US-8895565-B2 Heterocyclic compound and use of the same NISHIO TETSUYA (JP) 2014-11-25 US disclosed
US-8193285-B2 Block copolymers NIPPON SODA CO., LTD. (JP) 2012-06-05 US disclosed
US-20110319618-A1 HETEROCYCLIC COMPOUND AND USE OF THE SAME NISHIO TETSUYA (JP) 2011-12-29 US disclosed
CN-101039935-B Piperidine antibiotics ACTELION PHARMACEUTICALS LTD 2011-04-20 CN disclosed
US-20090253867-A1 BLOCK COPOLYMERS NIPPON SODA CO., LTD. (JP) 2009-10-08 US disclosed
EP-2019120-A1 BLOCK COPOLYMERS Nippon Soda Co., Ltd. (JP) 2009-01-28 EP disclosed
CN-101039935-A Novel piperidine antibiotics ACTELION PHARMACEUTICALS LTD (CH) 2007-09-19 CN disclosed
US-5556929-A FROM UNSATURATED DIESTER WITH URETHANE AND FLUORINE GROUPS AND ACRYLATED SILOXANE, CONTACT LENSES MENICON CO., LTD. (JP) 1996-09-17 US disclosed
EP-0025159-B1 USE OF STYRENE POLYMERS FOR THE PREPARATION OF OPTICAL SYSTEM BAYER AG (DE) 1984-05-09 EP disclosed
US-4420225-A Lens of a homo- or copolymer of a fluorine containing styrene polymer BAYER AKTIENGESELLSCHAFT (DE) 1983-12-13 US disclosed
EP-0025159-A2 Use of styrene polymers for the preparation of optical system BAYER AG (DE) 1981-03-18 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 (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-20110319618-A1 HETEROCYCLIC COMPOUND AND USE OF THE SAME CYP2D6, CYP2B6, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CES2 128/4885BACE1 2324/4885KDM4E 4520/4885

“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.