SCHEMBL4459622

SCHEMBL4459622

Clc1cc(Cl)c(-c2ccc(Cl)c(Cl)c2Cl)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AHR P35869 11/20 0.60
MAPK1 P28482 2/20 0.60
CYP3A4 P08684 3/20 0.41
TP53 P04637 1/20 0.36
CYP1B1 Q16678 1/20 0.36
ALPL P05186 1/20 0.34
CES1 P23141 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL29366530 1.00 AHR (0.60) AHRMAPK1CYP3A4TP53CYP1B1
SCHEMBL308791 0.84 AHR (0.62) AHRMAPK1CYP3A4CYP1B1ALPL
SCHEMBL29450677 0.82 AHR (0.62) AHRMAPK1CYP3A4CYP1B1ALPL
SCHEMBL2229300 0.82 AHR (0.62) AHRMAPK1CYP3A4CYP1B1ALPL
SCHEMBL29366112 0.79 AHR (0.67) AHRMAPK1CYP3A4CYP1B1TSHR
SCHEMBL4452334 0.79 AHR (0.67) AHRMAPK1CYP3A4CYP1B1TSHR
SCHEMBL4450490 0.78 AHR (0.57) AHRMAPK1TSHR
SCHEMBL4454517 0.78 AHR (0.56) AHRMAPK1CYP3A4TP53TSHR
SCHEMBL4459079 0.78 AHR (0.52) AHRCYP3A4TP53TSHRHSD17B10
2,2',4,4',5,5'-Hexachlorobiphenyl SCHEMBL258301 0.78 AHR (1.00) AHRMAPK1CYP3A4TP53CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115248258-A Preparation and detection method of to-be-detected sample of polychlorinated biphenyl in packaging material 湖南中烟工业有限责任公司 2022-10-28 CN claimed
EP-3881907-A1 METHOD FOR DECHLORINATION OF ONE OR MORE AROMATIC ORGANOCHLORINE COMPOUND(S) CONTAINED IN AN OIL OR FORMING SAID OIL - ASSOCIATED ELECTRICAL/ELECTRONIC DEVICE AND INSTALLATION Université de Lille (FR) 2021-09-22 EP claimed
EP-3188743-B1 TREATMENT OF HEPATIC AND CEREBRAL TOXICITY CAUSED BY AT LEAST ONE POLLUTANT UNIV GRENOBLE ALPES (FR) 2020-11-18 EP claimed
US-20240052418-A1 METHOD FOR PREDICTING A SUBJECT'S RESPONSE TO SLC MODULATOR THERAPY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-02-15 US disclosed
US-11814681-B2 Method for predicting a subjects response to SLC modulator therapy THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-11-14 US disclosed
CN-113311083-B Method for determining seven indicative polychlorinated biphenyls in fish scales 广东产品质量监督检验研究院(国家质量技术监督局广州电气安全检验所、广东省试验认证研究院、华安实验室) 2022-12-16 CN disclosed
CN-111308003-B Method for simultaneously detecting diisopropylnaphthalenes, polychlorinated biphenyls, phthalate compounds and photoinitiator 福建中烟工业有限责任公司 2022-11-08 CN disclosed
CN-115248258-A Preparation and detection method of to-be-detected sample of polychlorinated biphenyl in packaging material 湖南中烟工业有限责任公司 2022-10-28 CN disclosed
CN-113945650-A Method for simultaneously analyzing persistent organic pollutants in grains 国家粮食和物资储备局科学研究院 2022-01-18 CN disclosed
EP-3881907-A1 METHOD FOR DECHLORINATION OF ONE OR MORE AROMATIC ORGANOCHLORINE COMPOUND(S) CONTAINED IN AN OIL OR FORMING SAID OIL - ASSOCIATED ELECTRICAL/ELECTRONIC DEVICE AND INSTALLATION Université de Lille (FR) 2021-09-22 EP disclosed
US-20210254158-A1 METHOD FOR PREDICTING A SUBJECTS RESPONSE TO SLC MODULATOR THERAPY RESEARCH FOUNDATION FOR MENTAL HYGIENE, INC. 2021-08-19 US disclosed
EP-3322757-B1 TRACER SUBSTANCES FOR SVC ANALYSIS TWO TEKNIK APS (DK) 2020-08-26 EP disclosed
WO-2019046303-A1 A METHOD FOR PREDICTING A SUBJECT'S RESPONSE TO SLC MODULATOR THERAPY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-03-07 WO disclosed
US-9994848-B2 Pharmaceutical composition for preventing and teating endocrine disrupting chemicals-induced diseases and treating method using the same DONG-A UNIVERSITY RESEARCH FOUNDATION FOR INDUSTRY-ACADEMY COOPERATION (KR) 2018-06-12 US disclosed
US-20090269857-A1 Instruments for detecting low-molecular weight substance FUJIKURA KASEI CO., LTD. (JP) 2009-10-29 US disclosed
EP-1616022-A2 TEST SYSTEM FOR DETECTING CONTAMINANTS Crown Vision Systems Limited (GB) 2006-01-18 EP disclosed
US-20050148097-A1 Instruments for detecting low-molecular weight substance ENBIOTEC LABORATORIES C., LTD. (JP) 2005-07-07 US disclosed
EP-1489420-A1 INSTRUMENTS FOR DETECTING LOW-MOLECULAR WEIGHT SUBSTANCE Enbiotec Laboratories Co., Ltd. (JP) 2004-12-22 EP disclosed
WO-2004090156-A2 TEST SYSTEM FOR DETECTING CONTAMINANTS CROWN VISION SYSTEMS LIMITED (GB) 2004-10-21 WO disclosed
US-20030054424-A1 Rapid and sensitive method for measuring PCB contamination HYBRIZYME 2003-03-20 US disclosed