SCHEMBL231311

SCHEMBL231311

COC(=O)[C@@H]1N=C(c2ccccc2)O[C@@H]1C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
MMP9 P14780 2/20 0.39
USP1 O94782 1/20 0.38
WDR48 Q8TAF3 1/20 0.38
MAOB P27338 1/20 0.38
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
PTGS1 P23219 1/20 0.35
NAAA Q02083 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL159785 1.00 CYP2D6 (0.41) CYP2D6DRD2DRD4DRD3MMP9
SCHEMBL14116703 1.00 CYP2D6 (0.41) CYP2D6DRD2DRD4DRD3MMP9
SCHEMBL6751629 1.00 CYP2D6 (0.41) CYP2D6DRD2DRD4DRD3MMP9
SCHEMBL1338239 0.85 MAOB (0.41) MAOBALDH1A1
SCHEMBL19365539 0.85 ALDH1A1 (0.40) CYP2D6MMP9USP1WDR48MAOB
SCHEMBL6428936 0.85 ALDH1A1 (0.40) CYP2D6MMP9USP1WDR48MAOB
SCHEMBL6428933 0.85 ALDH1A1 (0.40) CYP2D6MMP9USP1WDR48MAOB
SCHEMBL1338859 0.84 TSHR (0.44) CYP2D6DRD2DRD4DRD3KDM4E
SCHEMBL11128460 0.84 DRD2 (0.43) DRD2DRD4DRD3MMP9USP1
SCHEMBL4354314 0.84 DRD2 (0.43) DRD2DRD4DRD3MMP9USP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919887-B1 METHOD FOR ENANTIOSELECTIVE HYDROGENATION OF CHROMENES GIRINDUS AMERICA INC (US) 2015-02-18 EP disclosed
US-8716497-B2 Method for enantioselective hydrogenation of chromenes CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2014-05-06 US disclosed
US-20130116450-A1 METHOD FOR ENANTIOSELECTIVE HYDROGENATION OF CHROMENES GIRINDUS AMERICA, INC. (US) 2013-05-09 US disclosed
US-8263790-B2 Method for enantioselective hydrogenation of chromenes CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2012-09-11 US disclosed
US-20120004427-A1 METHOD FOR ENANTIOSELECTIVE HYDROGENATION OF CHROMENES GIRINDUS AMERICA, INC. (US) 2012-01-05 US disclosed
US-7960573-B2 Method for enantioselective hydrogenation of chromenes CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2011-06-14 US disclosed
US-20100069653-A1 METHOD FOR ENANTIOSELECTIVE HYDROGENATION OF CHROMENES Children hospital medical center (US) 2010-03-18 US disclosed
US-7528267-B2 Method for enantioselective hydrogenation of chromenes GIRINDUS AMERICA, INC. (US) 2009-05-05 US disclosed
EP-1919887-A2 METHOD FOR ENANTIOSELECTIVE HYDROGENATION OF CHROMENES Girindus America, Inc. (US) 2008-05-14 EP disclosed
WO-2007016423-A2 METHOD FOR ENANTIOSELECTIVE HYDROGENATION OF CHROMENES GIRINDUS AMERICA INC. (US) 2007-02-08 WO disclosed
US-20070027329-A1 Method for enantioselective hydrogenation of chromenes AUSIO PHARMACEUTICALS, LLC 2007-02-01 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 (4 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-20130116450-A1 METHOD FOR ENANTIOSELECTIVE HYDROGENATION OF CHROMENES HRH3, HRH2, CHD8 CYP2D6 1651/4885DRD2 960/4885DRD4 534/4885
US-20070027329-A1 Method for enantioselective hydrogenation of chromenes HRH3, HRH2, CHD8 CYP2D6 1651/4885DRD2 960/4885DRD4 534/4885
US-20120004427-A1 METHOD FOR ENANTIOSELECTIVE HYDROGENATION OF CHROMENES HRH3, HRH2, CHD8 CYP2D6 1651/4885DRD2 960/4885DRD4 534/4885
US-20100069653-A1 METHOD FOR ENANTIOSELECTIVE HYDROGENATION OF CHROMENES HRH3, HRH2, CHD8 CYP2D6 1651/4885DRD2 960/4885DRD4 534/4885

“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.