SCHEMBL2227011

SCHEMBL2227011

ClCCP(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ESR1 P03372 3/20 0.32
ESR2 Q92731 3/20 0.32
TRPA1 O75762 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
GSK3B P49841 1/20 0.31
HIF1A Q16665 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL10699773 0.85 CYP3A4 (0.38) CYP3A4TDP1ESR1ESR2ALDH1A1
SCHEMBL6370293 0.85 CYP3A4 (0.38) CYP3A4TDP1ESR1ESR2ALDH1A1
SCHEMBL10595565 0.83 CYP3A4 (0.45) CYP3A4TDP1ESR1ESR2ALDH1A1
SCHEMBL9806656 0.83 CYP3A4 (0.45) CYP3A4TDP1ESR1ESR2ALDH1A1
SCHEMBL6376288 0.83 CYP3A4 (0.36) CYP3A4TDP1
SCHEMBL27343 0.83 CYP3A4 (0.50) CYP3A4TDP1ESR1ESR2TRPA1
SCHEMBL29442088 0.81 CYP3A4 (0.43) CYP3A4TDP1ESR1ESR2TSHR
SCHEMBL5079169 0.81 CYP3A4 (0.43) CYP3A4TDP1ESR1ESR2TSHR
SCHEMBL9806634 0.81 CYP3A4 (0.43) CYP3A4TDP1ESR1ESR2TSHR
SCHEMBL2273884 0.81 CYP3A4 (0.43) CYP3A4TDP1ESR1ESR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117374393-A Phosphazene modified ionic liquid electrolyte additive and preparation method and application thereof 龙子湖新能源实验室 2024-01-09 CN claimed
CN-114956979-B Catalyst system for synthesizing phenylacetic acid from toluene 中国科学技术大学 2023-04-28 CN claimed
CN-113045440-B Preparation method of 1-aminoanthraquinone 九江善水科技股份有限公司 2023-03-28 CN claimed
CN-113072452-B Method for catalytically synthesizing o-aminophenol 九江善水科技股份有限公司 2023-03-14 CN claimed
CN-113563259-A Continuous production process of 2,3, 5-trichloropyridine 九江善水科技股份有限公司 2021-10-29 CN claimed
CN-113072452-A Method for catalytically synthesizing o-aminophenol 九江善水科技股份有限公司 2021-07-06 CN claimed
CN-113045440-A Preparation method of 1-aminoanthraquinone 九江善水科技股份有限公司 2021-06-29 CN claimed
CN-107001058-B Use the aluminophosphate molecular sieve of organic group -1- oxa- -4- azo-cycle hexane compound 环球油品公司 2019-11-05 CN claimed
CN-106928222-B A kind of preparation method of 3- alkyl Indoli zine derivatives 淮阴师范学院 2019-08-23 CN claimed
EP-1598053-B1 Use of a composition containing at least one phosphine as majority reducing agent to remove the artificial colour of keratinic fibres OREAL (FR) 2006-12-20 EP claimed
EP-1598053-A1 Use of a composition containing at least one phosphine as majority reducing agent to remove the artificial colour of keratinic fibres L'OREAL (FR) 2005-11-23 EP claimed
US-20050251928-A1 Method for stripping artificial color from keratin fibers L'OREAL (FR) 2005-11-17 US claimed
CN-118530168-A Catalytic chlorination production process of 2,3, 5-trichloropyridine 九江善水科技股份有限公司 2024-08-23 CN disclosed
CN-117374393-A Phosphazene modified ionic liquid electrolyte additive and preparation method and application thereof 龙子湖新能源实验室 2024-01-09 CN disclosed
CN-110128843-B Fluorescent dye and preparation method and application thereof 深圳大学 2023-07-14 CN disclosed
US-20230165771-A1 PROCESS FOR TREATING KERATIN FIBERS USING PARTICULAR AMINO ACIDS IN HIGH CONCENTRATION L'OREAL (FR) 2023-06-01 US disclosed
CN-1585843-A Method for producing reactive cyclodextrins, textile material having said reactive cyclodextrins and use of said cyclodextrin derivatives CIBA SC HOLDING AG (CH) 2005-02-23 CN disclosed
CN-1216536-A Process for preparing heterocyclic carbenes RAYON CO LTD (DE) 1999-05-12 CN disclosed
CN-1024788-C Process for separating two isomerides and application for purifying 1-phenyl-2-bromo ethane ATOCHEM (FR) 1994-06-01 CN disclosed
CN-1049492-A Separate the method for two kinds of isomer and the application of purifying 1-phenyl-2-monobromethane thereof ATOCHEM (FR) 1991-02-27 CN 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 (2 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-20230165771-A1 PROCESS FOR TREATING KERATIN FIBERS USING PARTICULAR AMINO ACIDS IN HIGH CONCENTRATION KRT18, CKAP4, VIM CYP3A4 4371/4885TDP1 3775/4885ESR1 4504/4885
US-20050251928-A1 Method for stripping artificial color from keratin fibers KRT18, DSG1, JUP CYP3A4 4442/4885TDP1 3996/4885ESR1 3834/4885

“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.