SCHEMBL1649145

SCHEMBL1649145

CCOC(=O)c1ccccc1C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.65
ALDH1A1 P00352 1/20 0.61
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
POLB P06746 1/20 0.58
NQO1 P15559 6/20 0.55
TOP1 P11387 1/20 0.54
CYP2C9 P11712 2/20 0.53
CRHBP P24387 1/20 0.52
CASP7 P55210 1/20 0.52
CASP6 P55212 1/20 0.52
CRHR2 Q13324 1/20 0.52
HIF1A Q16665 1/20 0.52

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
SCHEMBL4959579 0.91 ADORA3 (0.60) ADORA3ALDH1A1MEN1KMT2APOLB
SCHEMBL5107208 0.83 ADORA3 (0.53) ADORA3ALDH1A1MEN1KMT2APOLB
SCHEMBL4960715 0.81 ADORA3 (0.51) ADORA3MEN1KMT2APOLBNQO1
Ethyl Biscoumacetate SCHEMBL42830 0.79 ADORA3 (1.00) ADORA3ALDH1A1MEN1KMT2ANQO1
Ethyl Biscoumacetate SCHEMBL29359768 0.79 ADORA3 (1.00) ADORA3ALDH1A1MEN1KMT2ANQO1
SCHEMBL4960324 0.78 NQO1 (0.57) ADORA3MEN1KMT2ANQO1TOP1
SCHEMBL1647635 0.77 ADORA3 (0.77) ADORA3ALDH1A1MEN1KMT2ANQO1
SCHEMBL8144592 0.77 MEN1 (0.71) MEN1KMT2ANQO1TOP1CYP2C9
SCHEMBL8443505 0.76 ALDH1A1 (1.00) ADORA3ALDH1A1KMT2APOLBNQO1
SCHEMBL4958903 0.76 ADORA3 (0.60) ADORA3ALDH1A1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2161261-B1 Materials and methods for treating coagulation disorders ARMETHEON INC (US) 2013-08-28 EP disclosed
US-7932405-B2 Halogenated ester derivatives of coumarins for the treatment of coagulation disorders ARYX THERAPEUTICS, INC. (US) 2011-04-26 US disclosed
EP-2161261-A1 Materials and methods for treating coagulation disorders Aryx Therapeutics (US) 2010-03-10 EP disclosed
US-7666902-B2 1,1,1,3,3,3-hexachloro-2-methylpropan-2-yl 4-((4-hydroxy-2-oxo-2H-chromen-3-yl)methyl)benzoate; side effect reduction over warfarin ARYX THERAPEUTICS, INC. (US) 2010-02-23 US disclosed
EP-1735296-B1 MATERIALS AND METHODS FOR TREATING COAGULATION DISORDERS ARYX THERAPEUTICS (US) 2009-12-09 EP disclosed
US-20090082430-A1 Materials and Methods for Treating Coagulation Disorders ARYX THERAPEUTICS, INC. (US) 2009-03-26 US disclosed
US-20080027132-A1 Materials and Methods For Treating Coagulation Disorders ARYX THERAPEUTICS (US) 2008-01-31 US disclosed
US-7285671-B2 Materials and methods for treating coagulation disorders ARYX THERAPEUTICS (US) 2007-10-23 US disclosed
US-20060287388-A1 Materials and Methods for Treating Coagulation Disorders ARYX THERAPEUTICS (US) 2006-12-21 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 (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-20060287388-A1 Materials and Methods for Treating Coagulation Disorders F12, F2, SERPINC1 ADORA3 124/4885ALDH1A1 992/4885MEN1 244/4885
US-20080027132-A1 Materials and Methods For Treating Coagulation Disorders F12, F2, SERPINC1 ADORA3 124/4885ALDH1A1 992/4885MEN1 244/4885
US-20090082430-A1 Materials and Methods for Treating Coagulation Disorders F12, F2, SERPINC1 ADORA3 124/4885ALDH1A1 992/4885MEN1 244/4885

“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.