SCHEMBL256701

SCHEMBL256701

CCCCc1ccccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.56
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
AOC3 Q16853 1/20 0.52
HTT P42858 1/20 0.50
IDO1 P14902 2/20 0.48
PNMT P11086 1/20 0.48
LIPG Q9Y5X9 1/20 0.47
KCNH2 Q12809 1/20 0.47
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
CTRC Q99895 1/20 0.44
CHRM2 P08172 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
Ammonia Solution, Strong SCHEMBL9427687 0.98 TAAR1 (0.54) TAAR1SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL1374203 0.93 LIPG (0.55) TAAR1SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL5271594 0.91 LIPG (0.58) TAAR1SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL19391066 0.91 LIPG (0.58) TAAR1SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL31444780 0.91 LIPG (0.58) TAAR1SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL5598971 0.91 LIPG (0.58) TAAR1SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL11658176 0.91 LIPG (0.58) TAAR1SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL5599139 0.91 LIPG (0.58) TAAR1SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL3694247 0.91 LIPG (0.58) TAAR1SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL196431 0.91 LIPG (0.58) TAAR1SLC6A2SLC6A4SLC6A3AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108558916-A A kind of synthesis technology to benzene butoxybenzoic acid 昆山力田医化科技有限公司 2018-09-21 CN claimed
CN-105198710-A Method for synthesizing 3-(tert-butyl)phenol RUDONG ZHONGYI CHEMICAL CO LTD 2015-12-30 CN claimed
CN-102976885-B To the synthetic method of tertiary butyl chlorobenzene SANMENXIA AOKE CHEMICAL INDUSTRY CO., LTD. (CN) 2015-10-21 CN claimed
CN-102766056-B Method for preparing chemical herbicide with butralin technical material content reaching 90+/-1% JIANGXI DUNPAI CHEMICAL CO LTD 2014-07-02 CN claimed
CN-102766057-B Preparation method of chemical herbicide with butralin active compound content more than 95% JIANGXI DUNPAI CHEMICAL CO LTD 2014-04-16 CN claimed
CN-103539630-A Preparation method of 1-chloro-4-phenyl butane KUNSHAN RIKITA PHARMACEUTICAL CO LTD 2014-01-29 CN claimed
CN-103449975-A Method for synthesizing m-tert-butylphenol from p-tert-butyl benzene halide KUNSHAN RIKITA PHARMACEUTICAL CO LTD 2013-12-18 CN claimed
CN-102976885-A Synthesis method of 4-tert-butyl-1-chlorobenzene SANMENXIA AOKE CHEMICAL INDUSTRY CO LTD 2013-03-20 CN claimed
CN-102766057-A Preparation method of chemical herbicide with butralin active compound content more than 95% JIANGXI DUNPAI CHEMICAL CO LTD 2012-11-07 CN claimed
CN-102766056-A Method for preparing chemical herbicide with butralin technical material content reaching 90+/-1% JIANGXI DUNPAI CHEMICAL CO LTD 2012-11-07 CN claimed
CN-101700996-A Method for preparing gamma-tertiary butyl-chlorobenzene butanone YANGZHOU TIANPING CHEMICAL CO 2010-05-05 CN claimed
CN-100488942-C Amination process for preparing butralin as chemical herbicide WENZHONG YI (CN) 2009-05-20 CN claimed
CN-101066928-A Amination process for preparing butralin as chemical herbicide YI WENZHONG (CN) 2007-11-07 CN claimed
US-5811923-A Plasma display panel with infrared absorbing coating OPTICAL COATING LABORATORY, INC. (US) 1998-09-22 US claimed
US-5034467-A For polymers of high tensile strength EXXON CHEMICAL PATENTS, INC. (US) 1991-07-23 US claimed
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
CN-117859093-A Electroactive optical device PPG工业俄亥俄公司 2024-04-09 CN disclosed
US-4076746-A FROM AN ALKYL OR ARYL HALIDE AND PHOSPHORUS SESQUISULFIDE STAUFFER CHEMICAL COMPANY (US) 1978-02-28 US disclosed
US-3968156-A Process for preparing alkyl-or arylphosphonothioic dihalides STAUFFER CHEMICAL COMPANY (US) 1976-07-06 US disclosed
US-3933701-A High resilience polyurethane foam OLIN CORPORATION (US) 1976-01-20 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-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK TAAR1 3775/4885SLC6A2 4418/4885SLC6A4 4345/4885

“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.