SCHEMBL343726

SCHEMBL343726

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
SCHEMBL43520 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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10882819-B2 Synthesis of novel intermediate(s) for preparing rivastigmine Cadila Corporate Campus (IN) 2021-01-05 US disclosed
US-10882819-B2 Synthesis of novel intermediate(s) for preparing rivastigmine Cadila Corporate Campus (IN) 2021-01-05 US disclosed
US-20200095195-A1 SYNTHESIS OF NOVEL INTERMEDIATE(S) FOR PREPARING RIVASTIGMINE CADILA PHARMACEUTICALS, LTD. (IN) 2020-03-26 US disclosed
US-20200095195-A1 SYNTHESIS OF NOVEL INTERMEDIATE(S) FOR PREPARING RIVASTIGMINE CADILA PHARMACEUTICALS, LTD. (IN) 2020-03-26 US disclosed
US-9321045-B2 Catalyst and process for synthesising the same THE UNIVERSITY OF WARWICK (GB) 2016-04-26 US disclosed
US-9321045-B2 Catalyst and process for synthesising the same THE UNIVERSITY OF WARWICK (GB) 2016-04-26 US disclosed
US-20150290634-A1 Catalyst and Process for Synthesising the Same THE UNIVERSITY OF WARWICK (GB) 2015-10-15 US disclosed
US-20150290634-A1 Catalyst and Process for Synthesising the Same THE UNIVERSITY OF WARWICK (GB) 2015-10-15 US disclosed
EP-2914609-A1 CATALYST AND PROCESS FOR SYNTHESISING THE SAME THE UNIVERSITY OF WARWICK (GB) 2015-09-09 EP disclosed
CN-104837854-A Catalyst and process for synthesising the same UNIV WARWICK 2015-08-12 CN disclosed
US-20120015991-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-8058300-B2 Polycyclic antagonists of lysophosphatidic acid receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
WO-2010141768-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
WO-2010141768-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
WO-2010141761-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
US-20100311799-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 US 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-20030171544-A1 Alcohol dehydrogenase and use thereof DEGUSSA AG (DE) 2003-09-11 US disclosed
EP-1241263-A1 Alcohol dehydrogenase and uses therefor Degussa AG (DE) 2002-09-18 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 (6 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-10882819-B2 Synthesis of novel intermediate(s) for preparing rivastigmine ACHE, SQLE, BCHE AOC3 1315/4885L3MBTL1 4629/4885CASR 4773/4885
US-20200095195-A1 SYNTHESIS OF NOVEL INTERMEDIATE(S) FOR PREPARING RIVASTIGMINE ACHE, SQLE, BCHE AOC3 1315/4885L3MBTL1 4629/4885CASR 4773/4885
US-20150290634-A1 Catalyst and Process for Synthesising the Same CBR3, SPR, RNF5 AOC3 207/4885L3MBTL1 3121/4885CASR 4733/4885
US-20030171544-A1 Alcohol dehydrogenase and use thereof ADH5, ADH1A, ADH1C AOC3 801/4885L3MBTL1 2989/4885CASR 4711/4885
US-20100311799-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 AOC3 2482/4885L3MBTL1 2613/4885CASR 203/4885
US-20120015991-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 AOC3 2482/4885L3MBTL1 2613/4885CASR 203/4885

“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.