SCHEMBL43520

SCHEMBL43520

COc1cccc([C@H](C)O)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
CASR P41180 2/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
UGT2B7 P16662 1/20 0.48
ACHE P22303 1/20 0.48
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
TAAR1 Q96RJ0 2/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47

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
SCHEMBL43735 1.00 AOC3 (0.57) AOC3L3MBTL1CASRCHRM2CHRM1
SCHEMBL343726 1.00 AOC3 (0.57) AOC3L3MBTL1CASRCHRM2CHRM1
SCHEMBL2608969 0.86 AOC3 (0.58) AOC3L3MBTL1CASRCHRM2CHRM1
SCHEMBL6912472 0.85 PTGS1 (0.58) AOC3L3MBTL1UGT2B7ACHE
SCHEMBL6912468 0.85 PTGS1 (0.58) AOC3L3MBTL1UGT2B7ACHE
SCHEMBL2093768 0.85 AOC3 (0.59) AOC3L3MBTL1CASRCHRM2CHRM1
SCHEMBL2087869 0.85 AOC3 (0.59) AOC3L3MBTL1CASRCHRM2CHRM1
SCHEMBL11604883 0.85 AOC3 (0.62) AOC3L3MBTL1CASRCHRM2CHRM1
SCHEMBL24925808 0.84 AOC3 (0.54) AOC3L3MBTL1CASRCHRM2CHRM1
SCHEMBL18793772 0.84 AOC3 (0.54) AOC3L3MBTL1CASRCHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110002961-B Method for racemization-free synthesis of chiral alcohol 三峡大学 2022-05-03 CN claimed
CN-105039429-A Method for biologically producing (S)-metoxybenzene alcohol UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-11-11 CN claimed
CN-117003699-A Etomidate derivative and preparation method and application thereof 江苏恩华药业股份有限公司 2023-11-07 CN disclosed
CN-110002961-B Method for racemization-free synthesis of chiral alcohol 三峡大学 2022-05-03 CN disclosed
EP-2582799-B1 BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF (S)-3-(1-AMINOETHYL)-PHENOL CODEXIS INC (US) 2017-12-20 EP disclosed
CN-105039429-A Method for biologically producing (S)-metoxybenzene alcohol UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-11-11 CN disclosed
US-8932838-B2 Biocatalysts and methods for the synthesis of (S)-3-(1-aminoethyl)-phenol CODEXIS, INC. (US) 2015-01-13 US disclosed
US-20140356944-A1 BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF (S)-3-(1-AMINOETHYL)-PHENOL INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2014-12-04 US disclosed
US-8852900-B2 Biocatalysts and methods for the synthesis of (S)-3-(1-aminoethyl)-phenol CODEXIS, INC. (US) 2014-10-07 US disclosed
EP-2582799-A2 BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF (S)-3-(1-AMINOETHYL)-PHENOL Codexis, Inc. (US) 2013-04-24 EP disclosed
US-20130089898-A1 BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF (S)-3-(1-AMINOETHYL)-PHENOL CODEXIS, INC. (US) 2013-04-11 US disclosed
WO-2011159910-A2 BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF (S)-3-(1-AMINOETHYL)-PHENOL CODEXIS, INC. (US) 2011-12-22 WO disclosed
EP-1934159-B1 METHOD FOR FRACTIONATING STEREOISOMERIC COMPOUNDS BASF SE (DE) 2009-03-25 EP disclosed
US-20090030235-A1 METHOD FOR FRACTIONATING STEREOISOMERIC COMPOUNDS BASF SE (DE) 2009-01-29 US disclosed
EP-1934159-A1 METHOD FOR FRACTIONATING STEREOISOMERIC COMPOUNDS BASF SE (DE) 2008-06-25 EP disclosed
WO-2007036570-A1 METHOD FOR FRACTIONATING STEREOISOMERIC COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2007-04-05 WO disclosed
US-7108896-B2 Method of increasing helical twisting power, optically active compound, liquid crystal compostion containing the same, and liquid crystal display device DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-09-19 US disclosed
US-20040021128-A1 Method of increasing helical twisting power, optically active compound, liquid crystal composition containing the same, and liquid crystal display device DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-02-05 US 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
EP-1031629-A2 Method of preparation of stereoisomeric carboxylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2000-08-30 EP 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-20090030235-A1 METHOD FOR FRACTIONATING STEREOISOMERIC COMPOUNDS ADH5, ADH1C, ADH1A AOC3 725/4885L3MBTL1 4634/4885CASR 4867/4885

“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.