SCHEMBL331173

SCHEMBL331173

BrCC(Br)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
TAAR1 Q96RJ0 3/20 0.42
HTR2A P28223 3/20 0.42
DPP4 P27487 2/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
F2 P00734 1/20 0.39
HRH1 P35367 2/20 0.39
MTOR P42345 1/20 0.39
RAB9A P51151 1/20 0.39
GRM7 Q14831 1/20 0.39
LMNA P02545 1/20 0.37

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
Benzene SCHEMBL27990256 0.93 TRPA1 (0.38) TRPA1CES2CES1TAAR1HTR2A
SCHEMBL9790052 0.93 TRPA1 (0.38) TRPA1CES2CES1TAAR1HTR2A
SCHEMBL11305311 0.85 CHRNB2 (0.48) TAAR1ALDH1A1
SCHEMBL7640651 0.85 LMNA (0.31) LMNA
SCHEMBL29124544 0.80 ALDH1A1 (0.48) TRPA1TSHRALDH1A1RAB9ALMNA
SCHEMBL19317396 0.80 CES2 (0.44) TRPA1CES2CES1TAAR1HTR2A
SCHEMBL22042211 0.80 HRH1 (0.46) TRPA1CES2CES1TAAR1HTR2A
SCHEMBL4450297 0.79 HRH1 (0.41) TRPA1CES2CES1TAAR1HTR2A
SCHEMBL4892666 0.78 CES2 (0.42) TRPA1CES2CES1TAAR1HTR2A
SCHEMBL1666064 0.77 HTR2A (0.52) TRPA1CES2CES1TAAR1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119970759-A Medicament for preventing and treating chicken bursal mycoplasmosis and preparation method thereof 如皋市龙骏兽药有限公司 2025-05-13 CN claimed
CN-115351459-B Tin wire with anti-oxidation coating on outer part and no splashing and preparation method thereof 深圳市兴鸿泰锡业有限公司 2025-01-03 CN claimed
CN-117510296-A Preparation method of bromine-containing intermediate alpha, beta-dibromophenylethane 浙江师范大学 2024-02-06 CN claimed
CN-117024401-A Triphenylvinyl thiophene compound and preparation method and application thereof 中国矿业大学 2023-11-10 CN claimed
WO-2022245080-A1 METHOD FOR MANUFACTURING THIN FILM COMPOSITE MEMBRANE FOR ALKALINE WATER ELECTROLYSIS 고려대학교 산학협력단 2022-11-24 WO claimed
CN-115351459-A Non-splashing tin wire with anti-oxidation coating on outer part and preparation method thereof 深圳市兴鸿泰锡业有限公司 2022-11-18 CN claimed
CN-113861445-A Environment-friendly flame-retardant melamine aqueous emulsion and preparation method thereof 北京嘉诚瑞鑫科技有限公司 2021-12-31 CN claimed
CN-112358490-B Preparation method of tetramisole hydrochloride 山东国邦药业有限公司 2021-11-09 CN claimed
EP-3227234-B1 SILICOALUMINOPHOSPHATE MOLECULAR SIEVES USING AN ORGANO-1-OXA-4-AZONIUMCYCLOHEXANE COMPOUND UOP LLC (US) 2021-05-26 EP claimed
CN-112608209-A Green method for synthesizing MDPES raw material phenylacetylene without solvent 珠海固瑞泰复合材料有限公司 2021-04-06 CN claimed
US-20160159656-A1 ALUMINOPHOSPHATE MOLECULAR SIEVES USING AN ORGANO-1-OXA-4-AZONIUMCYCLOHEXANE COMPOUND UOP LLC 2016-06-09 US claimed
CN-101981102-B Prepare the method for expandable polystyrene ARKEMA FRANCE (FR) 2016-01-20 CN claimed
EP-2105457-B1 Process for the preparation of expandable polystyrene ARKEMA FRANCE (FR) 2011-03-02 EP claimed
CN-101981102-A Process for the preparation of expandable polystyrene ARKEMA FRANCE 2011-02-23 CN claimed
US-20110015286-A1 PROCESS FOR THE PREPARATION OF EXPANDABLE POLYSTYRENE ARKEMA FRANCE (FR) 2011-01-20 US claimed
US-7834216-B2 Desmosdumotins, the method for preparing the same and use as anti-tumor or anti-AIDS agents Wu, Jiuhong (CN) 2010-11-16 US claimed
EP-2105457-A1 Process for the preparation of expandable polystyrene ARKEMA FRANCE (FR) 2009-09-30 EP claimed
US-20090233998-A1 Desmosdumotins, the Method for Preparing the Same and Use as Anti-Tumor or Anti-AIDS Agents WU, JIUHONG (CN) 2009-09-17 US claimed
EP-0754665-B1 3-substituted-alpha,beta-dibromoethylbenzene and process for preparing the same MITSUBISHI CHEM CORP (JP) 2000-12-27 EP claimed
US-3940875-A Method of treating soil for controlling termites and the like BASILE MARIO J 1976-03-02 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 (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-20090233998-A1 Desmosdumotins, the Method for Preparing the Same and Use as Anti-Tumor or Anti-AIDS Agents DSG1, DSC1, SOST TRPA1 4858/4885CES2 4328/4885CES1 3143/4885

“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.