SCHEMBL801059

SCHEMBL801059

CCC(O)c1cccc(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.66
L3MBTL1 Q9Y468 1/20 0.64
CHRM2 P08172 1/20 0.57
CHRM1 P11229 1/20 0.57
CHRM3 P20309 1/20 0.57
LMNA P02545 1/20 0.53
GRIN2B Q13224 2/20 0.49
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
PKM P14618 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
CASR P41180 2/20 0.46

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
SCHEMBL3920742 1.00 AOC3 (0.66) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL7743342 0.90 AOC3 (0.55) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL13850026 0.86 AOC3 (0.62) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL15195819 0.86 AOC3 (0.62) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL3907003 0.86 AOC3 (0.62) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL7784227 0.85 AOC3 (0.66) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL7102577 0.85 AOC3 (0.66) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL16419134 0.85 AOC3 (0.66) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL22785842 0.85 AOC3 (0.66) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL6492140 0.85 AOC3 (0.66) AOC3L3MBTL1CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115385782-A Mechanochemical synthesis method of benzoyl compound 兰州大学 2022-11-25 CN disclosed
US-20220127215-A1 A COPPER-CATALYZED METHOD AND APPLICATION FOR PREPARING ALDEHYDES OR KETONES BY OXIDIZING ALCOHOLS WITH OXYGEN AS AN OXIDANT FUDAN UNIVERSITY (CN) 2022-04-28 US disclosed
EP-3919469-A1 COPPER-CATALYZED METHOD FOR PREPARING ALDEHYDE OR KETONE COMPOUND BY OXIDIZING ALCOHOL BY USING OXYGEN AS OXIDANT, AND APPLICATION THEREOF Fudan University (CN) 2021-12-08 EP disclosed
EP-3906969-A1 ANTIHYPERTENSIVE POLYOL COMPOUND AND DERIVATIVE THEREOF East China University of Science and Technology (CN) 2021-11-10 EP disclosed
WO-2020156238-A1 COPPER-CATALYZED METHOD FOR PREPARING ALDEHYDE OR KETONE COMPOUND BY OXIDIZING ALCOHOL BY USING OXYGEN AS OXIDANT, AND APPLICATION THEREOF 复旦大学 2020-08-06 WO disclosed
EP-3307739-A1 NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-04-18 EP disclosed
WO-2016202253-A1 NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-12-22 WO disclosed
US-8309715-B2 Camphor-derived β-amino alcohol compounds, method for manufacturing the same and asymmetric addition of organozinc to aldehydes using the same NATIONAL TSING HUA UNIVERSITY (TW) 2012-11-13 US disclosed
US-20120071432-A1 CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2012-03-22 US disclosed
US-20120071432-A1 CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2012-03-22 US disclosed
EP-1505156-A1 Process for the enantioselective preparation of secondary alcohols by lipase catalysed solvolysis of the corresponding acetoacetic acid ester Consortium für elektrochemische Industrie GmbH (DE) 2005-02-09 EP disclosed
EP-1300381-A1 Process for preparing optically active alcohols Japan Science and Technology Corporation (JP) 2003-04-09 EP disclosed
US-6365398-B1 REACTING RACEMIC CARBOXYLIC ACID ESTER WITH RACEMIC ALCOHOL IN PRESENCE OF A CARBOXYL ESTER HYDROLASE BASF AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed
US-6184381-B1 USEFUL AS INTERMEDIATES FOR SYNTHESIZING PHARMACEUTICAL CHEMICALS, LIQUID CRYSTAL MATERIALS AND AGENTS FOR OPTICAL RESOLUTION, REDUCTION, KETONES TO ALCOHOL, IMINES TO AMINES JAPAN SCIENCE & TECHNOLOGY CORP. (JP) 2001-02-06 US disclosed
CN-1266904-A Process for preparing stereoisomer carboxylate BASF AG (DE) 2000-09-20 CN disclosed
EP-1031629-A2 Method of preparation of stereoisomeric carboxylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2000-08-30 EP disclosed
EP-0916637-A1 PROCESS FOR PREPARATING OPTICALLY ACTIVE COMPOUNDS Japan Science and Technology Corporation (JP) 1999-05-19 EP disclosed
CN-1117291-A 4-Hydroxy-pyran-2-one derivatives for the treatment of retroviral infections UPJOHN CO (US) 1996-02-21 CN disclosed
EP-0271287-A2 Quinoline dioic acids and amides MERCK FROSST CANADA INC. (CA) 1988-06-15 EP disclosed
US-4094994-A ANTICANCER AGENTS, TUMOR INHIBITION, HORMONE-DEPENDENT CARCINOMAS KLINGE PHARMA GMBH (DT) 1978-06-13 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 (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-20220127215-A1 A COPPER-CATALYZED METHOD AND APPLICATION FOR PREPARING ALDEHYDES OR KETONES BY OXIDIZING ALCOHOLS WITH OXYGEN AS AN OXIDANT SOD1, ALDH2, AOC2 AOC3 6/4885L3MBTL1 2054/4885CHRM2 1265/4885
US-20120071432-A1 CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS PMP22, INA, SMN1; SMN2 AOC3 2368/4885L3MBTL1 504/4885CHRM2 819/4885

“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.