SCHEMBL4032416

SCHEMBL4032416

COc1cccc(C(CN)OC)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.67
L3MBTL1 Q9Y468 1/20 0.50
TAAR1 Q96RJ0 3/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
CASR P41180 2/20 0.45
IDO1 P14902 1/20 0.43
AGXT P21549 1/20 0.43
CHEK1 O14757 1/20 0.43
ROCK2 O75116 1/20 0.43
RPS6KA5 O75582 1/20 0.43
MAP4K4 O95819 1/20 0.43
CHEK2 O96017 1/20 0.43
PRKCG P05129 1/20 0.43
CDK1 P06493 1/20 0.43
PRKACA P17612 1/20 0.43
RPS6KB1 P23443 1/20 0.43
CDK2 P24941 1/20 0.43
MAPK1 P28482 1/20 0.43
AKT1 P31749 1/20 0.43

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
SCHEMBL21295108 0.82 AOC3 (0.48) AOC3
SCHEMBL19217778 0.82 AOC3 (0.62) AOC3L3MBTL1TAAR1CASRIDO1
SCHEMBL11081355 0.81 AOC3 (0.54) AOC3L3MBTL1TAAR1ALDH1A1CYP3A4
SCHEMBL14655677 0.81 ALDH1A1 (0.46) AOC3L3MBTL1TAAR1ALDH1A1CYP3A4
SCHEMBL14402423 0.81 AOC3 (0.60) AOC3L3MBTL1CASR
SCHEMBL6744940 0.80 AOC3 (1.00) AOC3L3MBTL1
SCHEMBL10860910 0.80 AOC3 (0.66) AOC3TAAR1IDO1
SCHEMBL413321 0.80 TAAR1 (0.53) AOC3L3MBTL1TAAR1ALDH1A1CYP3A4
SCHEMBL410128 0.80 TAAR1 (0.53) AOC3L3MBTL1TAAR1ALDH1A1CYP3A4
SCHEMBL1473114 0.80 AOC3 (0.53) AOC3L3MBTL1TAAR1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109887681-A Preparation method of high-conductivity heat-resistant aluminum alloy conductor 广西纵览线缆集团有限公司 2019-06-14 CN claimed
CN-104130257-A One-dimensional organic semiconductor spiral nano-wires with fluorescence response upon organic amine gases, and preparation method and application thereof CHINESE ACAD INST CHEMISTRY 2014-11-05 CN claimed
CN-101781256-B Method for preparing 4-methyl-2-propyl-1H-benzimidazole-6-formamide compound BEIJING INSTITUTE OF TECHNOLOGY (CN) 2011-12-07 CN claimed
CN-101781256-A Method for preparing 4-methyl-2-propyl-1H-benzimidazole-6-formamide compound BEIJING INST TECHNOLOGY 2010-07-21 CN claimed
EP-3483149-B1 BENZO[D]THIAZOLE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME YUHAN CORP (KR) 2021-01-13 EP disclosed
US-10383859-B2 Benzo[d]thiazole derivative or salt thereof, and pharmaceutical composition including same YUHAN CORPORATION (KR) 2019-08-20 US disclosed
CN-109887681-A Preparation method of high-conductivity heat-resistant aluminum alloy conductor 广西纵览线缆集团有限公司 2019-06-14 CN disclosed
CN-109859894-A High-strength aluminum alloy conductor for overhead transmission line 广西纵览线缆集团有限公司 2019-06-07 CN disclosed
CN-109859894-A High-strength aluminum alloy conductor for overhead transmission line 广西纵览线缆集团有限公司 2019-06-07 CN disclosed
US-20190142809-A1 Benzo[D]Thiazole Derivative Or Salt Thereof, And Pharmaceutical Composition Including Same YUHAN CORPORATION (KR) 2019-05-16 US disclosed
EP-3483149-A1 BENZO[D]THIAZOLE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Yuhan Corporation (KR) 2019-05-15 EP disclosed
CN-104130257-B One-dimensional organic semiconductor spiral nano-wires with fluorescence response upon organic amine gases, and preparation method and application thereof 中国科学院化学研究所 2017-02-15 CN disclosed
US-20030176415-A1 1,2,3,4-tetrahydroisoquinoline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2003-09-18 US disclosed
US-20030069239-A1 Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators or caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-04-10 US disclosed
EP-1274687-A1 1,2,3,4- TETRAHYDROISOQUINOLINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2003-01-15 EP disclosed
WO-2002047690-A1 SUBSTITUTED 2-ARYL-4-ARYLAMINOPYRIMIDINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2002-06-20 WO disclosed
WO-2001068609-A1 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2001-09-20 WO disclosed
WO-1999064861-A2 METHOD OF IDENTIFYING ANTIDEPRESSANT COMPOUNDS UNIVERSITY COLLEGE LONDON (GB) 1999-12-16 WO disclosed
CN-1069882-A The Compounds and methods for that suppresses HIV and correlated virus MEDIVIR AB (CH) 1993-03-17 CN disclosed
US-4191765-A 1-Aryloxy-2-hydroxy-3-aminopropanes HOECHST AKTIENGESELLSCHAFT (DE) 1980-03-04 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-20190142809-A1 Benzo[D]Thiazole Derivative Or Salt Thereof, And Pharmaceutical Composition Including Same ILK, SBDS, BDKRB1 AOC3 4800/4885L3MBTL1 1733/4885TAAR1 3745/4885
US-10383859-B2 Benzo[d]thiazole derivative or salt thereof, and pharmaceutical composition including same ILK, SBDS, BDKRB1 AOC3 4800/4885L3MBTL1 1733/4885TAAR1 3745/4885
US-20030176415-A1 1,2,3,4-tetrahydroisoquinoline derivatives HCRTR2, HCRTR1, NPY2R AOC3 545/4885L3MBTL1 4869/4885TAAR1 128/4885
US-20030069239-A1 Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators or caspases and inducers of apoptosis and the use thereof API5, CASP2, APAF1 AOC3 2480/4885L3MBTL1 746/4885TAAR1 3971/4885

“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.