SCHEMBL599137

SCHEMBL599137

Oc1c(-c2cccc3ccccc23)cccc1-c1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
PTPN22 Q9Y2R2 1/20 0.50
ALDH1A1 P00352 4/20 0.46
CYP2A6 P11509 3/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MCL1 Q07820 1/20 0.44
ACMSD Q8TDX5 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KDM4E B2RXH2 2/20 0.42
PTPN1 P18031 1/20 0.42
ALPL P05186 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 2/20 0.42
CYP3A4 P08684 1/20 0.42
KEAP1 Q14145 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42

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
SCHEMBL30336104 1.00 CYP1A2 (0.54) CYP1A2PTPN22ALDH1A1CYP2A6TSHR
SCHEMBL9463313 0.89 CYP1A2 (0.60) CYP1A2PTPN22ALDH1A1CYP2A6TSHR
SCHEMBL4443508 0.89 PTPN22 (0.56) CYP1A2PTPN22ALDH1A1CYP2A6TSHR
SCHEMBL27953 0.87 ALDH1A1 (0.59) CYP1A2ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL29350007 0.87 ALDH1A1 (0.59) CYP1A2ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL25302086 0.87 ALDH1A1 (0.59) CYP1A2ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL10611956 0.85 HDAC8 (0.53) CYP1A2PTPN22MCL1ACMSDHDAC8
SCHEMBL5928823 0.85 ALDH1A1 (0.56) CYP1A2PTPN22ALDH1A1TSHRHSD17B10
SCHEMBL17500070 0.85 MCL1 (0.50) CYP1A2PTPN22ALDH1A1MCL1ACMSD
SCHEMBL18073803 0.85 CYP1A2 (0.45) CYP1A2PTPN22MCL1ACMSDHDAC8

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322998-A1 PHOTO-CURABLE RESIN COMPOSITION FOR USE IN STEREOLITHOGRAPHY BLUE CUBE IP LLC 2023-10-12 US disclosed
CN-113461504-B Method for preparing macrocyclic ketone from epoxide 中国天辰工程有限公司 2023-04-21 CN disclosed
CN-105142605-B 1, 2-alkane polyol-containing composition 大阪有机化学工业株式会社 2018-06-08 CN disclosed
EP-2251316-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE ESTER AND METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID TOKYO UNIV OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2018-02-21 EP disclosed
EP-2985017-A1 1,2-ALKANE POLYOL-CONTAINING COMPOSITION Osaka Organic Chemical Ind., Ltd. (JP) 2016-02-17 EP disclosed
CN-105142605-A 1, 2-alkane polyol-containing composition OSAKA ORGANIC CHEM IND 2015-12-09 CN disclosed
US-8115008-B2 Method for producing optically active ester and method for producing optically active carboxylic acid TOKYO UNIVERSITY OF SCIENCE EDUCATION FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2012-02-14 US disclosed
EP-2251316-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ESTER AND METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID Tokyo University Of Science Educational Foundation Administrative Organization (JP) 2010-11-17 EP disclosed
US-20100234610-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ESTER AND METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID TOKYO UNIVERSITY OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2010-09-16 US disclosed
US-20100048851-A1 Polycarbonate and production method thereof TEIJIN CHEMICALS, LTD. (JP) 2010-02-25 US disclosed
US-20100048851-A1 Polycarbonate and production method thereof TEIJIN CHEMICALS, LTD. (JP) 2010-02-25 US disclosed
EP-2067809-A1 POLYCARBONATE AND METHOD FOR PRODUCING THE SAME Teijin Chemicals, Ltd. (JP) 2009-06-10 EP disclosed
US-4504615-A PHENOLIC STABILIZERS, ALIPHATIC ALCOHOL PHILLIPS PETROLEUM COMPANY (US) 1985-03-12 US disclosed
US-4451604-A PHENOLIC STABILIZER, GLYCERIDE DISCOLORATION INHIBITION PHILLIPS PETROLEUM COMPANY (US) 1984-05-29 US disclosed
US-4082808-A ANTIOXIDANTS, INTERMEDIATES FOR POLYESTERS, POLYCARBONATES, EPOXY RESINS GENERAL ELECTRIC COMPANY (US) 1978-04-04 US disclosed
US-4064158-A Process for the preparation of an organomercaptophenol from sulfur, a 2,6-disubstituted phenol, and an activated olefin or an epoxy compound GENERAL ELECTRIC COMPANY (US) 1977-12-20 US disclosed
US-3979460-A ANTIOXIDANTS GENERAL ELECTRIC COMPANY (US) 1976-09-07 US disclosed
US-3953519-A BASES, EPOXY COMPOUNDS, OLEFINS GENERAL ELECTRIC COMPANY (US) 1976-04-27 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-20100234610-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ESTER AND METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID ACADM, ADH5, ALDH7A1 CYP1A2 239/4885PTPN22 4293/4885ALDH1A1 23/4885

“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.