SCHEMBL7630799

SCHEMBL7630799

FC(F)(F)c1ccc(I)c(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.50
PTPN5 P54829 1/20 0.39
PNMT P11086 1/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
AR P10275 1/20 0.36
DAO P14920 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KIF11 P52732 3/20 0.34
NOTUM Q6P988 1/20 0.34
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
PKM P14618 1/20 0.34
BACE1 P56817 1/20 0.34
GPR3 P46089 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL18358786 0.85 KIF11 (0.43) CES2TSHRARALDH1A1KIF11
SCHEMBL25795155 0.81 CES2 (0.43) CES2PTPN5TSHRMAPK1AR
SCHEMBL4020070 0.81 CES2 (0.50) CES2PTPN5TSHRMAPK1ALDH1A1
SCHEMBL29890669 0.81 CES2 (0.50) CES2PTPN5TSHRMAPK1ALDH1A1
SCHEMBL7863217 0.80 PTPN5 (0.41) CES2PTPN5TSHRMAPK1ALDH1A1
SCHEMBL6058773 0.78 NOTUM (0.35) PNMTTSHRNOTUM
SCHEMBL6061078 0.77 CES2 (0.56) CES2PTPN5TSHRMAPK1AR
SCHEMBL1529230 0.76 PDE2A (0.42) CES2PTPN5TSHRMAPK1KIF11
SCHEMBL30329053 0.76 PDE2A (0.46) CES2PTPN5TSHRMAPK1DAO
SCHEMBL1363828 0.76 IDO1 (0.46) TSHRARNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4079090-A Preparation of trichloromethyl-trifluoro methyl-benzenes BAYER AKTIENGESELLSCHAFT (DT) 1978-03-14 US claimed
WO-2024126619-A1 ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING A COMPOUND OF FORMULA (I) AND A COMPOUND OF FORMULA (II), AND DISPLAY DEVICE COMPRISING THE ORGANIC ELECTROLUMINESCENT DEVICE NOVALED GMBH (DE) 2024-06-20 WO disclosed
US-11858952-B2 Compound and color conversion film comprising same LG CHEM, LTD. (KR) 2024-01-02 US disclosed
US-20210347790-A1 COMPOUND AND COLOR CONVERSION FILM COMPRISING SAME LG CHEM, LTD. (KR) 2021-11-11 US disclosed
US-10811622-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-10-20 US disclosed
EP-3168848-B1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND TERPYRIDINE COMPOUND OR ESTERIFICATION PRODUCT THEREOF FUJIFILM CORP (JP) 2019-05-22 EP disclosed
EP-3168847-B1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND TERPYRIDINE COMPOUND OR ESTERIFICATION PRODUCT THEREOF FUJIFILM CORP (JP) 2018-05-16 EP disclosed
EP-3168847-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND TERPYRIDINE COMPOUND OR ESTERIFICATION PRODUCT THEREOF Fujifilm Corporation (JP) 2017-05-17 EP disclosed
EP-3168848-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND TERPYRIDINE COMPOUND OR ESTERIFICATION PRODUCT THEREOF Fujifilm Corporation (JP) 2017-05-17 EP disclosed
US-20020042541-A1 Process for producing bis( trifluoromethyl)benzaldehyde CENTRAL GLASS COMPANY, LIMITED (JP) 2002-04-11 US disclosed
US-6326517-B1 REACTIN AN AROMATIC COMPOUND WITH CARBON MONOXIDE AND AMMONIA CENTRAL GLASS COMPANY, LIMITED (JP) 2001-12-04 US disclosed
US-6268527-B1 REACTING TRIFLUOROMETHYL SUBSTITUTED AROMATIC COMPOUND WITH CARBON MONOXIDE AND HYDROXY COMPOUND IN PRESENCE OF METAL COMPOUND AND PHOSPHINE DERIVATIVE TO PRODUCE TRIFLUOROMETHYL SUBSTITUTED BENZOIC ACID DERIVATIVE CENTRAL GLASS COMPANY, LIMITED (JP) 2001-07-31 US disclosed
US-4079090-A Preparation of trichloromethyl-trifluoro methyl-benzenes BAYER AKTIENGESELLSCHAFT (DT) 1978-03-14 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 (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-20020042541-A1 Process for producing bis( trifluoromethyl)benzaldehyde BRPF1, PFAS, FLI1 CES2 1070/4885PTPN5 1516/4885PNMT 2038/4885
US-20210347790-A1 COMPOUND AND COLOR CONVERSION FILM COMPRISING SAME BLVRB, CDYL, CRY1 CES2 344/4885PTPN5 2229/4885PNMT 874/4885
US-11858952-B2 Compound and color conversion film comprising same BLVRB, CDYL, CRY1 CES2 344/4885PTPN5 2229/4885PNMT 874/4885
US-10811622-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound ORC3, LEF1, OCIAD1 CES2 3900/4885PTPN5 4501/4885PNMT 1286/4885

“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.