SCHEMBL629692

SCHEMBL629692

COc1ccc2c(c1)CC(O)CC2

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.66
DRD3 P35462 6/20 0.66
DRD4 P21917 2/20 0.58
MTNR1A P48039 1/20 0.58
MTNR1B P49286 1/20 0.58
CA1 P00915 4/20 0.55
CA2 P00918 4/20 0.55
ACHE P22303 4/20 0.55
CYP19A1 P11511 2/20 0.52
CYP26A1 O43174 1/20 0.49
HTR1A P08908 1/20 0.45
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL4001498 1.00 DRD2 (0.66) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL6403014 1.00 DRD2 (0.66) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL7958191 0.93 DRD2 (0.58) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL8765765 0.90 DRD2 (0.58) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL4000913 0.90 DRD2 (0.58) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL4000915 0.90 DRD2 (0.58) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL23343811 0.85 DRD2 (0.54) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL3961628 0.85 DRD2 (0.54) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL8983525 0.81 DRD2 (0.68) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL10977596 0.80 DRD2 (0.68) DRD2DRD3DRD4MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963292-A2 ORGANIC COMPOUNDS Novartis Pharma AG (CH) 2008-09-03 EP claimed
WO-2007067615-A2 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2007-06-14 WO claimed
EP-2772476-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL HAMARI CHEMICALS LTD (JP) 2017-01-11 EP disclosed
US-9174899-B2 Method for producing optically active alcohols HAMARI CHEMICALS, LTD. (JP) 2015-11-03 US disclosed
US-20140296584-A1 Method for Producing Optically Active Alcohols HAMARI CHEMICALS, LTD. (JP) 2014-10-02 US disclosed
EP-2772476-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL Hamari Chemicals, Ltd. (JP) 2014-09-03 EP disclosed
EP-1553170-B1 NOVEL CARBONYL REDUCTASE, GENE THEREOF AND METHOD OF USING THE SAME KANEKA CORP (JP) 2012-06-27 EP disclosed
EP-1963292-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-02-22 EP disclosed
US-7700633-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 US disclosed
US-7531329-B2 Carbonyl reductase, gene thereof and method of using the same KANEKA CORPORATION (JP) 2009-05-12 US disclosed
US-20080262050-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-23 US disclosed
EP-1963292-A2 ORGANIC COMPOUNDS Novartis Pharma AG (CH) 2008-09-03 EP disclosed
US-20070178565-A1 Novel carbonyl reductase, gene thereof and method of using the same KANEKA CORPORATION 2007-08-02 US disclosed
WO-2007067615-A2 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2007-06-14 WO disclosed
US-7220564-B2 Carbonyl reductase, gene thereof and method of using the same KANEKA CORPORATION (JP) 2007-05-22 US disclosed
US-20060035357-A1 Novel carbonyl reductase, gene thereof and method of using the same KANEKA CORPORATION (JP) 2006-02-16 US disclosed
US-20050153408-A1 7-substituted-2-tetralone or bisulfite adduct is reduced microorganism (Candida) to optically active 7-substituted-2-tetralol;sulfonyl group is introduced to hydroxy group to form optically active 7-substituted-2-sulfonyloxytetralin; nitrogen substituent is introduced via ammonia; industrial scale KANEKA CORPORATION (JP) 2005-07-14 US disclosed
EP-1553170-A1 NOVEL CARBONYL REDUCTASE, GENE THEREOF AND METHOD OF USING THE SAME KANEKA CORPORATION (JP) 2005-07-13 EP disclosed
EP-1457570-A1 PROCESS FOR PREPARATION OF 2-AMINOTETRALIN DERIVATIVES AND INTERMEDIATES THEREOF KANEKA CORPORATION (JP) 2004-09-15 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 (3 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-20070178565-A1 Novel carbonyl reductase, gene thereof and method of using the same PYCR1, CBR3, CBR1 DRD2 3670/4885DRD3 3506/4885DRD4 2353/4885
US-20080262050-A1 Organic Compounds PTPRS, PTPRO, PTPRC DRD2 4698/4885DRD3 4750/4885DRD4 4789/4885
US-20140296584-A1 Method for Producing Optically Active Alcohols ADH5, ADH1C, ADH1A DRD2 114/4885DRD3 127/4885DRD4 61/4885

“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.