SCHEMBL2912377

SCHEMBL2912377

COCOc1ccc(-c2coc3cc(OCOC)ccc3c2=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 11/20 0.66
MAOA P21397 6/20 0.66
MAOB P27338 6/20 0.66
XDH P47989 1/20 0.63
MAPT P10636 4/20 0.62
ALDH1A1 P00352 3/20 0.62
KDM4E B2RXH2 2/20 0.62
MEN1 O00255 2/20 0.62
TP53 P04637 2/20 0.62
CYP3A4 P08684 2/20 0.62
HPGD P15428 2/20 0.62
KMT2A Q03164 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
HRH3 Q9Y5N1 4/20 0.60
BCL2 P10415 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60

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
SCHEMBL2742796 0.91 MAPT (0.56) ALDH2MAOAMAOBXDHMAPT
SCHEMBL27565167 0.84 ALDH2 (0.73) ALDH2MAOAMAOBHRH3
SCHEMBL14070597 0.83 ALDH2 (0.80) ALDH2MAOAMAOBXDHMAPT
SCHEMBL30527918 0.83 ALDH2 (0.80) ALDH2MAOAMAOBXDHMAPT
SCHEMBL4095148 0.83 MAPT (0.87) ALDH2MAOAMAOBXDHMAPT
SCHEMBL571576 0.82 XDH (0.84) ALDH2MAOAMAOBXDHMAPT
SCHEMBL8788341 0.81 MEN1 (0.46) ALDH2MAOAMAOBXDHMAPT
SCHEMBL12946416 0.81 HRH3 (0.78) ALDH2MAOAMAOBXDHMAPT
SCHEMBL8787469 0.81 MAPT (0.50) ALDH2MAOAMAOBXDHMAPT
SCHEMBL4094445 0.81 ALDH2 (0.88) ALDH2MAOAMAOBMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
US-7528267-B2 Method for enantioselective hydrogenation of chromenes GIRINDUS AMERICA, INC. (US) 2009-05-05 US disclosed
US-20070027329-A1 Method for enantioselective hydrogenation of chromenes AUSIO PHARMACEUTICALS, LLC 2007-02-01 US 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 ALDH2 3356/4885MAOA 2338/4885MAOB 2571/4885
US-20070027329-A1 Method for enantioselective hydrogenation of chromenes HRH3, HRH2, CHD8 ALDH2 3356/4885MAOA 2338/4885MAOB 2571/4885
US-20120004427-A1 METHOD FOR ENANTIOSELECTIVE HYDROGENATION OF CHROMENES HRH3, HRH2, CHD8 ALDH2 3356/4885MAOA 2338/4885MAOB 2571/4885
US-20100069653-A1 METHOD FOR ENANTIOSELECTIVE HYDROGENATION OF CHROMENES HRH3, HRH2, CHD8 ALDH2 3356/4885MAOA 2338/4885MAOB 2571/4885

“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.