SCHEMBL97065

SCHEMBL97065

FC(F)(F)c1[c]c(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.39
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.35
IDO1 P14902 2/20 0.34
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HIF1A Q16665 1/20 0.32
TXNRD1 Q16881 1/20 0.32
TXNRD3 Q86VQ6 1/20 0.32
TXNRD2 Q9NNW7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.31
HTR2C P28335 2/20 0.31
GPR35 Q9HC97 1/20 0.31
PTPN5 P54829 1/20 0.31
ADRB1 P08588 1/20 0.31

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
SCHEMBL23174645 0.97 CES2 (0.37) CES2TSHRALDH1A1IDO1NOS3
SCHEMBL6537833 0.97 CES2 (0.37) CES2TSHRALDH1A1IDO1NOS3
SCHEMBL697742 0.83 ALDH1A1 (0.35) CES2TSHRALDH1A1CYP3A4HPGD
SCHEMBL16390881 0.83 CES2 (0.37) CES2LMNAGPR35
SCHEMBL697546 0.83 CES2 (0.32) CES2
SCHEMBL1841922 0.81
SCHEMBL3337947 0.78 NOTUM (0.32) IDO1GPR35
SCHEMBL16986315 0.78
SCHEMBL1842608 0.76
SCHEMBL6223113 0.75 ALDH1A1 (0.46) TSHRALDH1A1CYP3A4HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11261290-B2 Method for the polymerization of cycloolefins by means of ring-opening metathesis DEMETA (FR) 2022-03-01 US claimed
US-20200339741-A1 METHOD FOR THE POLYMERISATION OF CYCLOOLEFINS BY MEANS OF RING-OPENING METATHESIS VIPO FRANCE SAS (FR) 2020-10-29 US claimed
EP-3728391-A1 METHOD FOR THE POLYMERISATION OF CYCLOOLEFINS BY MEANS OF RING-OPENING METATHESIS Demeta (FR) 2020-10-28 EP claimed
WO-2020099750-A1 METHOD FOR THE METATHESIS OF OLEFINS USING A CATALYST IN THE PRESENCE OF AN ACTIVATOR AND A RETARDING AGENT DEMETA (FR) 2020-05-22 WO claimed
EP-3404017-B1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF NISSAN CHEMICAL IND LTD (JP) 2020-05-13 EP claimed
US-10590287-B2 Charge-transporting varnish and organic electroluminescent element NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2020-03-17 US claimed
EP-3309851-B1 CHARGE-TRANSPORTING VARNISH AND ORGANIC ELECTROLUMINESCENT ELEMENT NISSAN CHEMICAL CORP (JP) 2020-01-01 EP claimed
EP-2931709-B1 PROCESS FOR PREPARING ASYMMETRICAL IMIDAZOLIUM SALTS ECOLE NAT SUPERIEURE DE CHIMIE DE RENNES (FR) 2019-10-02 EP claimed
US-10336686-B2 Fluorine atom-containing compound and use thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-07-02 US claimed
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-01-31 US claimed
WO-1999067221-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 WO claimed
EP-0951466-A2 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS Elan Pharmaceuticals, Inc. (US) 1999-10-27 EP claimed
US-5932393-A Borate photoinitiators from monoboranes CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-08-03 US claimed
EP-0919571-A1 Catalyst composition comprising a reduced transition metal complex and a cocatalyst DSM N.V. (NL) 1999-06-02 EP claimed
WO-1999006414-A1 COMPOUNDS CONTAINING BORON AND ALUMINIUM TARGOR GMBH (DE) 1999-02-11 WO claimed
WO-1998038177-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR INHIBITING β-AMYLOID PEPTIDE ELAN PHARMACEUTICALS, INC. (US) 1998-09-03 WO claimed
EP-0627926-B1 PEPTIDYL DERIVATIVES AS INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME MERCK & CO INC (US) 1998-08-05 EP claimed
WO-1998028268-A2 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS AS β-AMYLOID PEPTIDE RELEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 1998-07-02 WO claimed
EP-0824113-A1 Supported catalyst, process for its preparation and its use in olefin polymerization HOECHST AKTIENGESELLSCHAFT (DE) 1998-02-18 EP claimed
WO-1997010220-A1 URACIL DERIVATIVE BAYER AKTIENGESELLSCHAFT (DE) 1997-03-20 WO claimed

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-10336686-B2 Fluorine atom-containing compound and use thereof ARF1, ARF5, ARFGAP1 CES2 2869/4885TSHR 668/4885ALDH1A1 982/4885
US-10590287-B2 Charge-transporting varnish and organic electroluminescent element SLCO4C1, SLCO2A1, SLC26A3 CES2 398/4885TSHR 1837/4885ALDH1A1 378/4885
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF ARF1, ARF5, ARFGAP1 CES2 2869/4885TSHR 668/4885ALDH1A1 982/4885

“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.