SCHEMBL976846

SCHEMBL976846

O=C(CCl)c1ccccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.60
CES1 P23141 1/20 0.60
ERCC5 P28715 1/20 0.60
FEN1 P39748 1/20 0.60
ALDH1A1 P00352 5/20 0.59
MAPK1 P28482 2/20 0.59
HIF1A Q16665 2/20 0.59
POLB P06746 2/20 0.54
GSK3B P49841 3/20 0.52
TRPA1 O75762 1/20 0.52
MAPT P10636 2/20 0.51
RAB9A P51151 4/20 0.49
HPGD P15428 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL29560924 1.00 CES2 (0.60) CES2CES1ERCC5FEN1ALDH1A1
SCHEMBL11737575 0.85 ALDH1A1 (0.61) CES2CES1ERCC5FEN1ALDH1A1
SCHEMBL15979733 0.84 CES2 (0.62) CES2CES1ERCC5FEN1ALDH1A1
SCHEMBL29987169 0.84 ERCC5 (0.74) CES2CES1ERCC5FEN1ALDH1A1
Phenyl Ethanol SCHEMBL5158975 0.83 RAB9A (0.51) CES2CES1ERCC5FEN1ALDH1A1
SCHEMBL8676987 0.83 ERCC5 (0.56) CES2CES1ERCC5FEN1ALDH1A1
SCHEMBL3142115 0.83 ERCC5 (0.62) CES2CES1ERCC5FEN1ALDH1A1
SCHEMBL1266557 0.82 CES2 (0.60) CES2CES1ERCC5FEN1ALDH1A1
SCHEMBL2848421 0.82 CES2 (0.60) CES2CES1ERCC5FEN1ALDH1A1
SCHEMBL27653603 0.81 KLKB1 (0.49) CES2CES1ERCC5FEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115109759-B Carbonyl reductase LsCR mutant, engineering bacterium and application thereof in preparation of chiral alcohol by asymmetric reduction of carbonyl compound 浙江工业大学 2024-05-03 CN claimed
CN-111253233-B Transposition method of acetophenone isomer 浙江禾本科技股份有限公司 2023-02-28 CN claimed
CN-115109759-A Carbonyl reductase LsCR mutant, engineering bacteria and application in preparation of chiral alcohol by asymmetrically reducing carbonyl compound 浙江工业大学 2022-09-27 CN claimed
CN-113307721-B Recovery and utilization of 2, 4-dichloroacetophenone isomer 2, 6-dichloroacetophenone 浙江禾本科技股份有限公司 2022-04-26 CN claimed
CN-113307721-A Recovery and utilization of 2, 4-dichloroacetophenone isomer 2, 6-dichloroacetophenone 浙江禾本科技股份有限公司 2021-08-27 CN claimed
CN-108445121-B Method for separating and measuring 2, 4-dichloroacetophenone and 2, 6-dichloroacetophenone isomers by gas chromatography 常州市盛辉药业有限公司 2021-06-25 CN claimed
CN-112299974-A Method for synthesizing 2, 4-dichloroacetophenone by recycling acetophenone crystallization waste 宁夏瑞泰科技股份有限公司 2021-02-02 CN claimed
CN-111253233-A Transposition method of acetophenone isomer 浙江禾本科技股份有限公司 2020-06-09 CN claimed
CN-105254586-B Sulfur heterocyclic ring chalcone derivative and its preparation method and application 郑州大学 2017-06-30 CN claimed
CN-105254586-A Sulfur-containing heterocyclic chalcone derivatives, preparation method and applications UNIV ZHENGZHOU 2016-01-20 CN claimed
EP-3881048-B1 DEVICE FOR REMOVING VOLATILE ORGANIC COMPOUNDS LETAT FRANCAIS REPRESENTE PAR LE MINI DE LINTERIEUR (FR) 2026-05-06 EP disclosed
EP-4069680-B1 PROCESS FOR SYNTHESIS OF A 2-(5-ISOXAZOLYL)-PHENOL FMC CORP (US) 2026-03-25 EP disclosed
US-12516045-B2 Process for synthesis of a 2-thioalkyl pyrimidine FMC CORPORATION (US) 2026-01-06 US disclosed
US-12291525-B2 Process for synthesis of a 2-(5-isoxazolyl)-phenol FMC CORPORATION (US) 2025-05-06 US disclosed
CN-118026949-A Thiazole histone deacetylase inhibitor and preparation method and application thereof 济南大学 2024-05-14 CN disclosed
EP-0012850-B1 PROCESS FOR THE PREPARATION OF KETONES BY REACTING CARBOXYLIC-ACID HALIDES WITH ALKYL ALUMINIUM COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1981-11-25 EP disclosed
US-4282145-A Process for the preparation of azetidines GIST-BROCADES N.V. (NL) 1981-08-04 US disclosed
US-4266066-A FROM CARBOXYLIC ACYL HALIDE AND ALUMINUM ALKYL COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1981-05-05 US disclosed
US-3960961-A 4'-Fluoro-4-{[4-(phenyl)cyclohexyl]amino}butyrophenones and the salts thereof THE UPJOHN COMPANY (US) 1976-06-01 US disclosed
US-3932338-A POLYOLEFINS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1976-01-13 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-12291525-B2 Process for synthesis of a 2-(5-isoxazolyl)-phenol CYP4F11, CYP2F1, CYP1A2 CES2 2149/4885CES1 2257/4885ERCC5 4396/4885

“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.