SCHEMBL1443418

SCHEMBL1443418

Clc1ccc(-c2ccccc2)cc1Cl

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.74
ESR2 Q92731 1/20 0.64
CYP1B1 Q16678 1/20 0.61
CYP1A2 P05177 2/20 0.55
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ADORA1 P30542 1/20 0.47
KMO O15229 1/20 0.47
ALOX5 P09917 1/20 0.46
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
IDO1 P14902 1/20 0.46
PTGES2 Q9H7Z7 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
PTGER1 P34995 1/20 0.44
PTGER3 P43115 1/20 0.44

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
SCHEMBL29493845 1.00 AHR (0.74) AHRESR2CYP1B1CYP1A2CYP2C9
Water SCHEMBL11023201 0.97 AHR (0.70) AHRESR2CYP1B1CYP1A2CYP2C9
Sulfur Dioxide SCHEMBL27851594 0.91 AHR (0.61) AHRESR2CYP1B1CYP1A2CYP2C9
Boric Acid SCHEMBL30873596 0.91 AHR (0.61) AHRESR2CYP1B1CYP1A2CYP2C9
SCHEMBL27940579 0.89 AHR (0.58) AHRESR2CYP1B1CYP1A2CYP2C9
SCHEMBL8652196 0.89 AHR (0.58) AHRESR2CYP1B1CYP1A2ALOX5
Urea SCHEMBL27889450 0.87 ESR2 (0.57) AHRESR2CYP1B1CYP1A2CYP2C9
SCHEMBL137915 0.86 AHR (1.00) AHRESR2CYP1B1MEN1KMT2A
SCHEMBL29769221 0.86 AHR (1.00) AHRESR2CYP1B1MEN1KMT2A
SCHEMBL8652195 0.84 CYP2A6 (0.71) AHRESR2CYP1B1ADORA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-110612119-A Phospholipid ether (PLE) CAR T cell tumor targeting (CTCT) agents 西雅图儿童医院(DBA西雅图儿童研究所) 2019-12-24 CN claimed
WO-2018148224-A1 PHOSPHOLIPID ETHER (PLE) CAR T CELL TUMOR TARGETING (CTCT) AGENTS Seattle Children's Hospital (dba Seattle Children's Research Institute) (US) 2018-08-16 WO claimed
CN-102911619-A Assistant composite activated by ultraviolet light and adhesive containing composite GUANGDONG HENGDA NEW MATERIALS TECHNOLOGY CO LTD 2013-02-06 CN claimed
EP-0968739-B1 Method for decomposing halogenated aliphatic and aromatic compounds CANON KK (JP) 2010-06-16 EP claimed
US-7304065-B2 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US claimed
CN-101068773-A Melanin concentrating hormone antagonists PROCTER & GAMBLE (US) 2007-11-07 CN claimed
EP-1667958-A2 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2006-06-14 EP claimed
WO-2005033063-A2 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2005-04-14 WO claimed
US-20050075324-A1 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2005-04-07 US claimed
EP-1005881-B1 Method and apparatus for decomposing halogenated aliphatic hydrocarbon compounds or aromatic compounds CANON KK (JP) 2005-01-19 EP claimed
US-6616815-B2 Contacting under irradiation with light a medium containing at least one of a halogenated aliphatic hydrocarbon compound and an aromatic compound with functional water produced by electrolysis of water containing an electrolyte CANON KABUSHIKI KAISHA (JP) 2003-09-09 US claimed
US-20030164286-A1 Apparatus for decomposing halogenated aliphatic hydrocarbon compounds or aromatic compounds CANON KABUSHIKI KAISHA (JP) 2003-09-04 US claimed
US-20030148501-A1 Compositions and methods useful in bioremediation of polychlorinated biphenyls NATIONAL SCIENCE FOUNDATION 2003-08-07 US claimed
US-6537797-B1 Isolated bacterium that utilizes 2,3-dichloro-biphenyl as a sole carbon source INDIANA UNIVERSITY, ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE 2003-03-25 US claimed
US-20020163135-A1 METHOD FOR DECOMPOSING HALOGENATED ALIPHATIC HYDROCARBON COMPOUNDS OR AROMATIC COMPOUNDS, METHOD FOR CLEANING MEDIUM CONTAMINATED WITH AT LEAST ONE OF THESE COMPOUNDS, AND APPARATUS FOR THESE CANON KABUSHIKI KAISHA (JP) 2002-11-07 US claimed
US-20020130030-A1 METHOD OF DECOMPOSING HALOGENATED ALIPHATIC HYDROCARBON COMPOUNDS OR AROMATIC COMPOUNDS AND APPARATUS TO BE USED FOR THE SAME AS WELL AS METHOD OF CLARIFYING EXHAUST GAS AND APPARATUS TO BE USED FOR THE SAME CANON KABUSHIKI KAISHA (JP) 2002-09-19 US claimed
EP-1005881-A1 Method and apparatus for decomposing halogenated aliphatic hydrocarbon compounds or aromatic compounds CANON KABUSHIKI KAISHA (JP) 2000-06-07 EP claimed
EP-0968739-A1 Method and apparatus for decomposing halogenated aliphatic and aromatic compounds CANON KABUSHIKI KAISHA (JP) 2000-01-05 EP claimed
US-5559131-A ANTAGONISTS OF TACHYKININS AT THE NEUROKININ 2 RECEPTOR, ANTIASTHMA ZENECA LIMITED (GB) 1996-09-24 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 (3 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-20030164286-A1 Apparatus for decomposing halogenated aliphatic hydrocarbon compounds or aromatic compounds AHR, ARNT, TRPA1 AHR 1/4885ESR2 3033/4885CYP1B1 150/4885
US-20050075324-A1 Melanin concentrating hormone antagonists MCHR1, MCHR2, MC1R AHR 663/4885ESR2 1314/4885CYP1B1 1061/4885
US-20020130030-A1 METHOD OF DECOMPOSING HALOGENATED ALIPHATIC HYDROCARBON COMPOUNDS OR AROMATIC COMPOUNDS AND APPARATUS TO BE USED FOR THE SAME AS WELL AS METHOD OF CLARIFYING EXHAUST GAS AND APPARATUS TO BE USED FOR THE SAME AHR, ARNT, TRPA1 AHR 1/4885ESR2 1116/4885CYP1B1 117/4885

“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.