SCHEMBL473544

SCHEMBL473544

CC(C)(C)OC(=O)C(CN)CO

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
PRKCA P17252 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
DGAT1 O75907 1/20 0.30

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
SCHEMBL3809238 1.00 NOS1 (0.33) NOS1KMT2AMEN1GAANOS3
SCHEMBL6932447 0.89 KMT2A (0.36) NOS1KMT2AMEN1GAANOS3
SCHEMBL6230762 0.84 MEN1 (0.35) NOS1KMT2AMEN1GAANOS3
SCHEMBL3671404 0.84 MEN1 (0.35) NOS1KMT2AMEN1GAANOS3
SCHEMBL28739490 0.84 MEN1 (0.35) NOS1KMT2AMEN1GAANOS3
SCHEMBL3622338 0.84 MEN1 (0.35) NOS1KMT2AMEN1GAANOS3
SCHEMBL12742954 0.83 GABRR1 (0.32) NOS1NOS3NOS2LMNA
SCHEMBL38661123 0.83 CA2 (0.38) NOS1KMT2AMEN1GAANOS3
SCHEMBL8329644 0.82 NOS1 (0.33) NOS1KMT2AMEN1GAANOS3
SCHEMBL28058283 0.82 KMT2A (0.36) NOS1KMT2AMEN1GAANOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962622-B2 Benzotriazole kinase modulators ROCHE PALO ALTO LLC (US) 2015-02-24 US disclosed
CN-101466725-B Amino derivatives of androstanes and androstenes as medicaments for cardiovascular disorders SIGMA TAU IND FARMACEUTI 2014-06-25 CN disclosed
CN-101671218-B Alcohol production method by reducing ester or lactone with hydrogen TAKASAGO PERFUMERY CO LTD 2014-06-18 CN disclosed
US-8524953-B2 Alcohol production method by reducing ester or lactone with hydrogen TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-09-03 US disclosed
EP-2161251-B1 Alcohol production method by reducing ester or lactone with hydrogen TAKASAGO PERFUMERY CO LTD (JP) 2013-06-05 EP disclosed
US-20130006020-A1 ALCOHOL PRODUCTION METHOD BY REDUCING ESTER OR LACTONE WITH HYDROGEN TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-01-03 US disclosed
US-8288575-B2 Alcohol production method by reducing ester of lactone with hydrogen TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-10-16 US disclosed
CN-101511359-B Benzotriazole kinase modulators HOFFMANN LA ROCHE 2012-09-05 CN disclosed
EP-2066319-B1 BENZOTRIAZOLE KINASE MODULATORS HOFFMANN LA ROCHE (CH) 2012-02-01 EP disclosed
CN-101671218-A Alcohol production method by reducing ester or lactone with hydrogen TAKASAGO PERFUMERY CO LTD 2010-03-17 CN disclosed
EP-2066319-A1 BENZOTRIAZOLE KINASE MODULATORS F. Hoffmann-Roche AG (CH) 2009-06-10 EP disclosed
US-20080103142-A1 Benzotriazole kinase modulators ROCHE PALO ALTO LLC 2008-05-01 US disclosed
WO-2008028860-A1 BENZOTRIAZOLE KINASE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-13 WO disclosed
CN-1054846-C Use of intermediates for production of aromatic aminoalcohol derivatives having anti-diabetic and anti-obesity properties SANKYO CO (JP) 2000-07-26 CN disclosed
CN-1036588-C Oxazolidine derivatives having anti-diabetic and anti-obesity properties, their preparation and their therapeutic uses SANKYO CO (JP) 1997-12-03 CN disclosed
CN-1151401-A Use of intermediates for production of aromatic aminoalcohol derivatives having anti-diabetic and anti-obesity properties SANKYO CO (JP) 1997-06-11 CN disclosed
CN-1034497-C Process for the preparation of aromatic aminoalcohol derivatives useful for the treatment of diabetes and obesity SANKYO CO (JP) 1997-04-09 CN disclosed
CN-1033750-C Intermediate compounds for the preparation of aromatic amino alcohol derivatives having anti-diabetic and anti-obesity properties SANKYO CO (JP) 1997-01-08 CN disclosed
CN-1106396-A Intermediate compounds for the preparation of aromatic amino alcohol derivatives having anti-diabetic and anti-obesity properties SANKYO CO (JP) 1995-08-09 CN disclosed
CN-1073428-A Aromatic amino alcohol derivatives having anti-diabetic and anti-obesity properties, their preparation and their therapeutic use SANKYO CO (JP) 1993-06-23 CN 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-20130006020-A1 ALCOHOL PRODUCTION METHOD BY REDUCING ESTER OR LACTONE WITH HYDROGEN ADH1A, ADH1C, ADH5 NOS1 292/4885KMT2A 3104/4885MEN1 491/4885
US-20080103142-A1 Benzotriazole kinase modulators CDK1, CDK3, MAPK1 NOS1 2415/4885KMT2A 473/4885MEN1 3651/4885

“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.