SCHEMBL322157

SCHEMBL322157

O=C(Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.67
GAA P10253 1/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
P2RX1 P51575 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CES1 P23141 1/20 0.43
NOTUM Q6P988 1/20 0.43
MAPT P10636 1/20 0.42
JUN P05412 2/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
TACR1 P25103 1/20 0.41
RHOC P08134 3/20 0.41
RHOA P61586 3/20 0.41
HIF1A Q16665 1/20 0.40

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
SCHEMBL477925 0.87 CES2 (0.52) CES2GAARXRARXRBRXRG
SCHEMBL679313 0.87 CES2 (0.52) CES2GAARXRARXRBRXRG
SCHEMBL29593993 0.87 CES2 (0.52) CES2GAARXRARXRBRXRG
SCHEMBL1792413 0.87 CES2 (0.52) CES2GAAHDAC3HDAC6RHOC
SCHEMBL5227982 0.86 CES2 (0.50) CES2GAARXRARXRBRXRG
SCHEMBL30253392 0.86 NOTUM (0.62) CES2GAARXRARXRBRXRG
SCHEMBL477562 0.86 NOTUM (0.62) CES2GAARXRARXRBRXRG
SCHEMBL12055235 0.86 CES2 (0.50) CES2GAANOTUMMAPT
SCHEMBL12098032 0.81 RXRA (0.47) CES2RXRARXRBRXRGP2RX1
SCHEMBL4283632 0.81 CES2 (0.50) CES2RXRARXRG

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 1101 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118619832-A Resveratrol-based fluorine-containing active ester compound and preparation method and application thereof 广东工业大学 2024-09-10 CN claimed
CN-118598750-A Fluorine-containing active ester compound and preparation method and application thereof 广东工业大学 2024-09-06 CN claimed
CN-117123191-A For CO 2 Adsorbed resin and preparation method thereof 中国科学院广州能源研究所 2023-11-28 CN claimed
EP-4259798-A1 POLY-MORPHOLINO OLIGONUCLEOTIDE GAPMERS Eisai R&D Management Co., Ltd. (JP) 2023-10-18 EP claimed
CN-114380709-B Synthesis method of 4-chloro-2-acylaminophenol 西北农林科技大学 2023-07-21 CN claimed
WO-2022125987-A1 POLY-MORPHOLINO OLIGONUCLEOTIDE GAPMERS EISAI R&D MANAGEMENT CO., LTD. (JP) 2022-06-16 WO claimed
CN-103087040-B Penicillide derivative, its preparation method and at pharmaceutical usage FUDAN UNIVERSITY (CN) 2015-10-28 CN claimed
EP-2295424-B1 Processes for the preparation of novel phenylaminopyrimidine derivatives as inhibitors of BCR-ABL kinase NATCO PHARMA LTD (IN) 2015-10-14 EP claimed
CN-103880877-A Fluorine-containing solid-phase synthesis reagent and application thereof SHANGHAI INST ORGANIC CHEM 2014-06-25 CN claimed
EP-1125913-B1 Preparation of 3,5-bis-(trifluormethyl)-benzoylchlorid and novel benzoylhalides: 3,5-bis-(trihalomethyl)- and 3,5-dimethyl- BAYER AG (DE) 2003-04-09 EP claimed
US-6420601-B2 FREE RADICAL CHLORINATION; FLUORINATION WITH HYDROGEN FLUORIDE AND/OR ANTIMONY PENTAFLUORIDE; CONVERTING THE BENZOYL FLUORIDE TO CHLORIDE BY REACTING WITH SILICON TETRACHLORIDE IN LEWIS ACID; CHEMICAL INTERMEDIATES BAYER AKTIENGESELLSCHAFT (DE) 2002-07-16 US claimed
EP-1125913-A1 Preparation of 3,5-bis-(trifluormethyl)-benzoylchlorid and novel benzoylhalides: 3,5-bis-(trihalomethyl)- and 3,5-dimethyl- BAYER AG (DE) 2001-08-22 EP claimed
US-20010014759-A1 Free radical chlorination; fluorination with hydrogen fluoride and/or antimony pentafluoride; converting the benzoyl fluoride to chloride by reacting with silicon tetrachloride in lewis acid; chemical intermediates LANXESS DEUTSCHLAND GMBH (DE) 2001-08-16 US claimed
US-6432953-B1 None US disclosed
CN-122079956-A Preparation method of heterocyclic compound 2026-05-26 CN disclosed
CN-122029155-A Heterocyclic compound and harmful arthropod control composition containing same 住友化学株式会社 2026-05-12 CN disclosed
US-4336400-A BRONCHODILATOR AGENTS, CARDIOVASCULAR STIMULANTS STERLING DRUG INC. (US) 1982-06-22 US disclosed
US-RE30241-E BRONCHODILATION, ADRENERGIC STIMULANTS STERLING DRUG INC. (US) 1980-03-25 US disclosed
US-4138581-A BRONCHODILATOR AGENTS, ADRENERGIC STIMULANTS STERLING DRUGS INC. (US) 1979-02-06 US disclosed
US-4069224-A N-(PYRIDYLALKYL)BENZAMIDES, IMPROVE PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-01-17 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-20010014759-A1 Free radical chlorination; fluorination with hydrogen fluoride and/or antimony pentafluoride; converting the benzoyl fluoride to chloride by reacting with silicon tetrachloride in lewis acid; chemical intermediates SCLY, SSB, CLIC4 CES2 836/4885GAA 2525/4885RXRA 1091/4885

“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.