SCHEMBL457997

SCHEMBL457997

CC(C)(I)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 3/20 0.46
TAAR1 Q96RJ0 1/20 0.46
ALOX15 P16050 1/20 0.46
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
CYP3A4 P08684 1/20 0.44
KCNN4 O15554 4/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP2B6 P20813 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39

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
SCHEMBL23661327 0.84 KIF11 (0.52) MAPK1ALDH1A1TAAR1ESR1ESR2
SCHEMBL2868266 0.83 TSHR (0.40) MAPK1ALDH1A1ALOX15ESR1ESR2
SCHEMBL1921744 0.81 KCNN4 (0.50) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL19842070 0.81 MAPK1 (0.50) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL17859851 0.79 ESR1 (0.44) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL297091 0.79 MAPK1 (0.48) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL28371 0.77 TSHR (0.52) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL20752445 0.77 MAPK1 (0.46) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL3710774 0.77 KCNN4 (0.52) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL4400522 0.77 ALDH1A1 (0.48) MAPK1ALDH1A1TAAR1ALOX15ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240210817-A1 RESIN MOLDED ARTICLE PRODUCTION METHOD AND OPTICAL COMPONENT PRODUCTION METHOD DAICEL CORPORATION (JP) 2024-06-27 US disclosed
US-11927884-B2 Resin molded article production method and optical component production method DAICEL CORPORATION (JP) 2024-03-12 US disclosed
EP-3603937-B1 RESIN MOLDED ARTICLE PRODUCTION METHOD AND OPTICAL COMPONENT PRODUCTION METHOD DAICEL CORP (JP) 2023-09-27 EP disclosed
WO-2023142486-A1 BORON-NITROGEN COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 季华恒烨(佛山)电子材料有限公司 2023-08-03 WO disclosed
WO-2023142485-A1 BORON-NITROGEN COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 季华恒烨(佛山)电子材料有限公司 2023-08-03 WO disclosed
US-20230140039-A1 Novel Polymer and Organic Light Emitting Device Comprising Same LG CHEM, LTD. (KR) 2023-05-04 US disclosed
US-20230134822-A1 AMINE COMPOUND, CHEMICALLY AMPLIFIED RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-04 US disclosed
US-20230079631-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-03-16 US disclosed
US-20230025630-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-01-26 US disclosed
US-11545637-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-01-03 US disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-1226108-A1 DIARYL-ENYNES NPS Allelix Corp. (CA) 2002-07-31 EP disclosed
US-6426364-B1 NERVOUS SYSTEM OR PSYCHOLOGICAL DISORDERS NPS ALLELIX CORP. (CA) 2002-07-30 US disclosed
WO-2001032602-A1 DIARYL-ENYNES NPS ALLELIX CORP. (CA) 2001-05-10 WO disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed
US-6030969-A ADENOSINE KINASE INHIBITORS; ANTIISCHEMIA,-INFLAMMATORY, -DIABETIC AGENTS; NEUROLOGICAL AND GASTROINTESTINAL DISORDERS; NOCIPERCEPTION, IMMUNOSUPPRESSION; SEPSIS ABBOTT LABORATORIES (US) 2000-02-29 US disclosed
EP-0975633-A1 5,6,7-TRISUBSTITUTED-4-AMINOPYRIDOL 2,3-D]PYRIMIDINE COMPOUNDS Abbott Laboratories (US) 2000-02-02 EP disclosed
EP-0940383-A2 Method for the selective alkylation of aldehydes with organozinc compounds Metallgesellschaft Aktiengesellschaft (DE) 1999-09-08 EP disclosed
WO-1998046604-A1 5,6,7-TRISUBSTITUTED-4-AMINOPYRIDOL[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 1998-10-22 WO disclosed
US-4568761-A Process for preparing tertiary aralkyl carbamates from tertiary aralkyl chlorides AMERICAN CYANAMID COMPANY (US) 1986-02-04 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 (4 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-20230079631-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 MAPK1 1647/4885ALDH1A1 1972/4885TAAR1 3311/4885
US-11545637-B2 Organic electroluminescent materials and devices OCIAD2, OCIAD1, ICOSLG MAPK1 3574/4885ALDH1A1 2122/4885TAAR1 675/4885
US-20230025630-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 MAPK1 1647/4885ALDH1A1 1972/4885TAAR1 3311/4885
US-20230134822-A1 AMINE COMPOUND, CHEMICALLY AMPLIFIED RESIST COMPOSITION, AND PATTERNING PROCESS GFER, GNMT, DNER MAPK1 3250/4885ALDH1A1 3192/4885TAAR1 346/4885

“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.