SCHEMBL1647648

SCHEMBL1647648

CCCC(CC(=O)OCC)c1c(O)c2ccccc2oc1=O

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.67
NQO1 P15559 2/20 0.65
ALDH1A1 P00352 2/20 0.56
CYP2C9 P11712 2/20 0.54
VKORC1 Q9BQB6 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALB P02768 1/20 0.54
PCSK7 Q16549 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 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
SCHEMBL5106357 0.92 NQO1 (0.64) ADORA3NQO1ALDH1A1CYP2C9VKORC1
SCHEMBL5099418 0.89 NQO1 (0.67) ADORA3NQO1ALDH1A1CYP2C9VKORC1
SCHEMBL1649881 0.87 ADORA3 (0.65) ADORA3NQO1ALDH1A1CYP2C9VKORC1
SCHEMBL1648320 0.86 ADORA3 (0.70) ADORA3NQO1ALDH1A1CYP2C9VKORC1
SCHEMBL1649113 0.85 NQO1 (0.76) ADORA3NQO1ALDH1A1CYP2C9VKORC1
SCHEMBL1647638 0.85 CYP2C9 (0.72) ADORA3NQO1ALDH1A1CYP2C9VKORC1
Ethyl Biscoumacetate SCHEMBL42830 0.80 ADORA3 (1.00) ADORA3NQO1ALDH1A1CYP2C9VKORC1
Ethyl Biscoumacetate SCHEMBL29359768 0.80 ADORA3 (1.00) ADORA3NQO1ALDH1A1CYP2C9VKORC1
SCHEMBL6827896 0.80 VKORC1 (0.54) ADORA3NQO1ALDH1A1CYP2C9VKORC1
SCHEMBL1647664 0.80 NQO1 (0.65) ADORA3NQO1ALDH1A1CYP2C9VKORC1

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 23 patents — showing the first 20. 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
EP-2161261-B1 Materials and methods for treating coagulation disorders ARMETHEON INC (US) 2013-08-28 EP disclosed
CN-1950353-B Materials and methods for treating coagulation disorders ARYX THERAPEUTICS 2011-06-01 CN 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-20080221204-A1 Materials and Methods for Treating Coagulation Disorders DRUZGALA PASCAL 2008-09-11 US disclosed
US-20080027132-A1 Materials and Methods For Treating Coagulation Disorders ARYX THERAPEUTICS (US) 2008-01-31 US disclosed
CN-1950353-A Materials and methods for treating coagulation disorders ARYX THERAPEUTICS (US) 2007-04-18 CN disclosed
US-20060287388-A1 Materials and Methods for Treating Coagulation Disorders ARYX THERAPEUTICS (US) 2006-12-21 US disclosed
US-7145020-B2 Materials and methods for treating coagulation disorders ARYX THERAPEUTICS (US) 2006-12-05 US disclosed
US-20050245603-A1 Materials and methods for treating coagulation disorders ESPERO BIOPHARMA, INC. 2005-11-03 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
US-6720425-B2 Alkyl or aryl substituted dihydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity ALLERGAN, INC. 2004-04-13 US disclosed
US-20030199573-A1 Materials and methods for treating coagulation disorders ARYX THERAPEUTICS, INC. 2003-10-23 US disclosed
US-20030187235-A1 Alkyl or aryl substituted dihydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity ALLERGAN, INC. 2003-10-02 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 (8 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-20030187235-A1 Alkyl or aryl substituted dihydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity RARB, RARA, RXRB ADORA3 2332/4885NQO1 221/4885ALDH1A1 66/4885
US-20050245603-A1 Materials and methods for treating coagulation disorders F12, F2, SERPINC1 ADORA3 124/4885NQO1 390/4885ALDH1A1 992/4885
US-20030199573-A1 Materials and methods for treating coagulation disorders CES1, F2, CYP3A5 ADORA3 2300/4885NQO1 249/4885ALDH1A1 289/4885
US-20060287388-A1 Materials and Methods for Treating Coagulation Disorders F12, F2, SERPINC1 ADORA3 124/4885NQO1 390/4885ALDH1A1 992/4885
US-20080221204-A1 Materials and Methods for Treating Coagulation Disorders CES1, F2, CYP3A5 ADORA3 2300/4885NQO1 249/4885ALDH1A1 289/4885
US-20080027132-A1 Materials and Methods For Treating Coagulation Disorders F12, F2, SERPINC1 ADORA3 124/4885NQO1 390/4885ALDH1A1 992/4885
US-20090082430-A1 Materials and Methods for Treating Coagulation Disorders F12, F2, SERPINC1 ADORA3 124/4885NQO1 390/4885ALDH1A1 992/4885
US-20040220258-A1 Materials and methods for treating coagulation disorders CES1, F2, CYP3A5 ADORA3 2300/4885NQO1 249/4885ALDH1A1 289/4885

“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.