SCHEMBL40351

SCHEMBL40351

COC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.65
NPSR1 Q6W5P4 1/20 0.64
NOTUM Q6P988 2/20 0.58
MRGPRX4 Q96LA9 1/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
LMNA P02545 2/20 0.55
P2RX1 P51575 1/20 0.55
SRD5A2 P31213 1/20 0.54
GAA P10253 1/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.54
CACNA1B Q00975 1/20 0.53
MAPT P10636 1/20 0.53
CFTR P13569 1/20 0.53

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
SCHEMBL31355711 1.00 CES2 (0.65) CES2NPSR1NOTUMMRGPRX4MEN1
Ethane SCHEMBL27386119 0.98 CES2 (0.62) CES2NPSR1NOTUMMRGPRX4MEN1
Butane SCHEMBL27366277 0.94 ALDH1A1 (0.62) CES2NPSR1NOTUMMRGPRX4MEN1
SCHEMBL27403082 0.92 NPSR1 (0.56) CES2NPSR1NOTUMMRGPRX4MEN1
SCHEMBL7465987 0.91 NPSR1 (0.55) CES2NPSR1NOTUMMRGPRX4MEN1
SCHEMBL7824610 0.90 PDK2 (0.54) CES2NPSR1NOTUMMRGPRX4CACNA1B
SCHEMBL22498190 0.88 CACNA1B (0.56) CES2NPSR1NOTUMMRGPRX4MEN1
SCHEMBL29528521 0.88 CACNA1B (0.56) CES2NPSR1NOTUMMRGPRX4MEN1
SCHEMBL3933098 0.88 TAS1R3 (0.54) CES2NPSR1NOTUMMRGPRX4ALDH1A1
SCHEMBL5552615 0.88 MAPT (0.62) CES2NPSR1MRGPRX4GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120020114-A Preparation method of N-alkenyl amide compound 中国石油化工股份有限公司 2025-05-20 CN claimed
CN-120020115-A Process for the preparation of N- (alkyl-2-hydroxy) alkylamides and N-alkenylamides 中国石油化工股份有限公司 2025-05-20 CN claimed
EP-3315579-B1 SURFACE TREATMENT AGENT INCLUDING PERFLUORO(POLY)ETHER GROUP-CONTAINING SILANE COMPOUND DAIKIN IND LTD (JP) 2024-05-01 EP claimed
CN-117535564-A Material for aluminum shell of new energy battery and manufacturing method thereof 徐州汉裕铝业股份有限公司 2024-02-09 CN claimed
CN-220345839-U Production line of m-trifluoromethyl methyl benzoate 上海开荣化工科技有限公司 2024-01-16 CN claimed
CN-114032403-B Refining agent for motor rotor of new energy automobile 山东博源精密机械有限公司 2023-01-31 CN claimed
CN-114032403-A Refining agent for motor rotor of new energy automobile 山东博源精密机械有限公司 2022-02-11 CN claimed
CN-113999552-A New energy automobile motor rotor cavity wall coating 山东博源精密机械有限公司 2022-02-01 CN claimed
EP-3088487-B1 SURFACE TREATING AGENT INCLUDING PERFLUORO(POLY)ETHER-GROUP-CONTAINING SILANE COMPOUND DAIKIN IND LTD (JP) 2021-05-05 EP claimed
CN-112048907-A Preparation method of active carbon fiber with antibacterial and deodorizing functions 苏州远浩新纺织科技有限公司 2020-12-08 CN claimed
EP-3088487-A1 SURFACE TREATING AGENT INCLUDING PERFLUORO(POLY)ETHER-GROUP-CONTAINING SILANE COMPOUND Daikin Industries, Ltd. (JP) 2016-11-02 EP claimed
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-11-12 US claimed
EP-2892343-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS Bayer CropScience AG (DE) 2015-07-15 EP claimed
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US claimed
CN-103641795-A Acetophenone derivatives containing 1,2,3-thiadiazole and preparation method and use thereof UNIV NANKAI 2014-03-19 CN claimed
WO-2014037349-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-03-13 WO claimed
CN-102766073-A Method for synchronizing m-benzenyl trifluoride di-cyan acetonphenone YELLOW RIVER DELTA JINGBO CHEMICAL RES INST CO LTD 2012-11-07 CN claimed
CN-101066926-A Prepn process of 3-trifluoro methyl benzoate SHANGHAI KANGPENG CHEMISTRY CO (CN) 2007-11-07 CN claimed
CN-101056628-A Ester derivatives and medicinal use thereof JAPAN TOBACCO INC (JP) 2007-10-17 CN claimed
US-20060128984-A1 Method of preparing an ester of an aromatic carboxylic acid bearing at least one perfluoroalkyl group CHIMIE, RHODIA (FR) 2006-06-15 US 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 (2 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-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS CAT, HSF1, HPD CES2 1061/4885NPSR1 1989/4885NOTUM 1192/4885
US-20060128984-A1 Method of preparing an ester of an aromatic carboxylic acid bearing at least one perfluoroalkyl group ALK, PAH, PFAS CES2 272/4885NPSR1 338/4885NOTUM 203/4885

“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.