SCHEMBL5103335

SCHEMBL5103335

CC(C)OC(=O)C(c1ccccc1)c1c(O)c2ccccc2oc1=O

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 6/20 0.65
VKORC1 Q9BQB6 3/20 0.64
ADORA3 P0DMS8 1/20 0.62
CYP2C9 P11712 8/20 0.60
HSD17B10 Q99714 2/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
ALB P02768 1/20 0.59
PCSK7 Q16549 1/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
CRHBP P24387 1/20 0.55
CASP7 P55210 1/20 0.55
CASP6 P55212 1/20 0.55
CRHR2 Q13324 1/20 0.55
HIF1A Q16665 1/20 0.55
CYP3A4 P08684 1/20 0.55
TOP1 P11387 1/20 0.54

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
SCHEMBL5103288 0.88 NQO1 (0.85) NQO1VKORC1ADORA3CYP2C9HSD17B10
SCHEMBL5107024 0.85 ADORA3 (0.86) NQO1VKORC1ADORA3CYP2C9HSD17B10
SCHEMBL5106117 0.83 ADORA3 (0.70) NQO1VKORC1ADORA3CYP2C9HSD17B10
SCHEMBL10338525 0.83 CYP2C9 (0.70) NQO1VKORC1ADORA3CYP2C9HSD17B10
SCHEMBL3173605 0.83 NQO1 (0.71) NQO1VKORC1ADORA3CYP2C9HSD17B10
SCHEMBL5100656 0.82 CYP2C9 (0.72) NQO1VKORC1CYP2C9HSD17B10KDM4E
SCHEMBL5099451 0.81 ADORA3 (0.67) NQO1VKORC1ADORA3CYP2C9HSD17B10
SCHEMBL5111769 0.81 ADORA3 (0.62) NQO1VKORC1ADORA3CYP2C9HSD17B10
SCHEMBL12280454 0.80 CYP2C9 (0.67) NQO1VKORC1ADORA3CYP2C9HSD17B10
SCHEMBL7349603 0.79 VKORC1 (1.00) NQO1VKORC1CYP2C9HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221204-A1 Materials and Methods for Treating Coagulation Disorders DRUZGALA PASCAL 2008-09-11 US claimed
US-7145020-B2 Materials and methods for treating coagulation disorders ARYX THERAPEUTICS (US) 2006-12-05 US claimed
US-20080221204-A1 Materials and Methods for Treating Coagulation Disorders DRUZGALA PASCAL 2008-09-11 US disclosed
US-20070129429-A1 Materials And Methods For Treating Coagulation Disorders ARYX THERAPEUTICS, INC. 2007-06-07 US disclosed
US-7145020-B2 Materials and methods for treating coagulation disorders ARYX THERAPEUTICS (US) 2006-12-05 US disclosed
US-6864279-B2 Materials and methods for treating coagulation disorders ARYX THERAPEUTICS (US) 2005-03-08 US disclosed
US-20040220258-A1 Materials and methods for treating coagulation disorders ESPERO BIOPHARMA, INC. 2004-11-04 US disclosed
EP-1383756-A1 COUMARIN DERIVATIVES TO BE USED AS ANTICOAGULANTS Arxy Therapeutics (US) 2004-01-28 EP disclosed
US-20030199573-A1 Materials and methods for treating coagulation disorders ARYX THERAPEUTICS, INC. 2003-10-23 US disclosed
WO-2002085882-A1 COUMARIN DERIVATIVES TO BE USED AS ANTICOAGULANTS ARXY THERAPEUTICS (US) 2002-10-31 WO 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-20030199573-A1 Materials and methods for treating coagulation disorders CES1, F2, CYP3A5 NQO1 249/4885VKORC1 6/4885ADORA3 2300/4885
US-20080221204-A1 Materials and Methods for Treating Coagulation Disorders CES1, F2, CYP3A5 NQO1 249/4885VKORC1 6/4885ADORA3 2300/4885
US-20070129429-A1 Materials And Methods For Treating Coagulation Disorders CES1, F2, CYP3A5 NQO1 249/4885VKORC1 6/4885ADORA3 2300/4885
US-20040220258-A1 Materials and methods for treating coagulation disorders CES1, F2, CYP3A5 NQO1 249/4885VKORC1 6/4885ADORA3 2300/4885

“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.