SCHEMBL4452334

SCHEMBL4452334

Clc1cc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AHR P35869 11/20 0.67
MAPK1 P28482 2/20 0.67
CYP3A4 P08684 3/20 0.61
HPGD P15428 5/20 0.42
HSD17B10 Q99714 5/20 0.42
TSHR P16473 4/20 0.42
HSP90AA1 P07900 1/20 0.42
CASP1 P29466 1/20 0.39
ALDH1A1 P00352 1/20 0.36
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
CYP1B1 Q16678 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
SCHEMBL29366112 1.00 AHR (0.67) AHRMAPK1CYP3A4HPGDHSD17B10
SCHEMBL30034845 0.88 CYP3A4 (0.67) AHRMAPK1CYP3A4HPGDHSD17B10
SCHEMBL2230314 0.88 CYP3A4 (0.67) AHRMAPK1CYP3A4HPGDHSD17B10
2,2',4,4',5,5'-Hexachlorobiphenyl SCHEMBL29367365 0.82 AHR (1.00) AHRMAPK1CYP3A4HPGDHSD17B10
2,2',4,4',5,5'-Hexachlorobiphenyl SCHEMBL258301 0.82 AHR (1.00) AHRMAPK1CYP3A4HPGDHSD17B10
SCHEMBL4453545 0.79 AHR (0.60) AHRMAPK1CYP3A4HPGDHSD17B10
SCHEMBL29624841 0.79 AHR (0.60) AHRMAPK1CYP3A4HPGDHSD17B10
SCHEMBL29366530 0.79 AHR (0.60) AHRMAPK1CYP3A4HSD17B10TSHR
SCHEMBL4459622 0.79 AHR (0.60) AHRMAPK1CYP3A4HSD17B10TSHR
Pentachlorobenzene SCHEMBL11455164 0.78 CYP3A4 (1.00) AHRMAPK1CYP3A4HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220351865-A1 METHODS OF BIOLOGICAL AGE EVALUATION AND SYSTEMS USING SUCH METHODS GERO PTE. LTD. (SG) 2022-11-03 US claimed
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
CN-111665313-A Method for determining polychlorinated biphenyl compounds in aquatic products 孟祥龙 2020-09-15 CN claimed
CN-115820621-A Carbon-based microbial inoculum for synchronously degrading halogenated organic matters and passivating heavy metals as well as preparation method and application thereof 华南理工大学 2023-03-21 CN disclosed
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 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
US-20220351865-A1 METHODS OF BIOLOGICAL AGE EVALUATION AND SYSTEMS USING SUCH METHODS GERO PTE. LTD. (SG) 2022-11-03 US 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-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
US-6469187-B1 PREPARATION OF FISH OIL WITH REDUCED PCBS BY A PROCESS OF COLD CLEARING, MIXING WITH ACTIVATED CHARCOAL UNDER REDUCED PRESSURE AND FILTRATION MERCK PATENT GMBH (DE) 2002-10-22 US disclosed
US-4276179-A Removing halogenated hydrocarbons from aqueous media by utilizing a polyolefinic microporous adsorbent CELANESE CORPORATION (US) 1981-06-30 US disclosed
US-4246255-A Disposal of PCB ROCKWELL INTERNATIONAL CORPORATION (US) 1981-01-20 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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 AHR 3353/4885MAPK1 1468/4885CYP3A4 2539/4885

“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.