SCHEMBL1647642

SCHEMBL1647642

COC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 9/20 0.75
VKORC1 Q9BQB6 3/20 0.75
HSD17B10 Q99714 2/20 0.75
ALB P02768 2/20 0.75
ALDH1A1 P00352 2/20 0.75
KDM4E B2RXH2 1/20 0.75
PCSK7 Q16549 1/20 0.75
MEN1 O00255 1/20 0.75
KMT2A Q03164 1/20 0.75
CYP3A4 P08684 1/20 0.70
NQO1 P15559 2/20 0.63
LMNA P02545 1/20 0.60
GAA P10253 1/20 0.60
HPGD P15428 1/20 0.60
HTT P42858 1/20 0.60
NR1I2 O75469 1/20 0.59
NR3C1 P04150 1/20 0.59
ADRA1A P35348 1/20 0.59
KCNH2 Q12809 1/20 0.59

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
SCHEMBL14078681 0.90 CYP2C9 (0.72) CYP2C9VKORC1HSD17B10ALBALDH1A1
SCHEMBL1647638 0.88 CYP2C9 (0.72) CYP2C9VKORC1HSD17B10ALBALDH1A1
SCHEMBL5100656 0.88 CYP2C9 (0.72) CYP2C9VKORC1HSD17B10ALBALDH1A1
SCHEMBL1647631 0.88 NQO1 (0.65) CYP2C9VKORC1HSD17B10ALBALDH1A1
SCHEMBL5972173 0.87 CYP2C9 (0.70) CYP2C9VKORC1HSD17B10ALBALDH1A1
SCHEMBL6827699 0.86 CYP2C9 (0.57) CYP2C9VKORC1HSD17B10ALBALDH1A1
SCHEMBL5972176 0.86 CYP2C9 (0.69) CYP2C9VKORC1HSD17B10ALBALDH1A1
SCHEMBL5113240 0.86 CYP2C9 (0.69) CYP2C9VKORC1HSD17B10ALBALDH1A1
Warfarin SCHEMBL662875 0.86 CYP2C9 (1.00) CYP2C9VKORC1HSD17B10ALBALDH1A1
Warfarin SCHEMBL3689 0.86 CYP2C9 (1.00) CYP2C9VKORC1HSD17B10ALBALDH1A1

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 25 patents — showing the first 20. 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
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
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-20080221204-A1 Materials and Methods for Treating Coagulation Disorders DRUZGALA PASCAL 2008-09-11 US disclosed
US-20080221204-A1 Materials and Methods for Treating Coagulation Disorders DRUZGALA PASCAL 2008-09-11 US disclosed
US-7253208-B2 Materials and methods for treating coagulation disorders ARYX THERAPEUTICS (US) 2007-08-07 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
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
US-6169181-B1 HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE INHIBITORS PHARMACIA & UPJOHN COMPANY 2001-01-02 US disclosed
US-5852195-A Pyranone compounds useful to treat retroviral infections PHARMACIA & UPJOHN COMPANY (US) 1998-12-22 US disclosed
EP-0758327-A1 PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1997-02-19 EP disclosed
WO-1995030670-A2 PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-16 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 (5 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-20050245603-A1 Materials and methods for treating coagulation disorders F12, F2, SERPINC1 CYP2C9 553/4885VKORC1 38/4885HSD17B10 1602/4885
US-20030199573-A1 Materials and methods for treating coagulation disorders CES1, F2, CYP3A5 CYP2C9 24/4885VKORC1 6/4885HSD17B10 257/4885
US-20080221204-A1 Materials and Methods for Treating Coagulation Disorders CES1, F2, CYP3A5 CYP2C9 24/4885VKORC1 6/4885HSD17B10 257/4885
US-20090082430-A1 Materials and Methods for Treating Coagulation Disorders F12, F2, SERPINC1 CYP2C9 553/4885VKORC1 38/4885HSD17B10 1602/4885
US-20040220258-A1 Materials and methods for treating coagulation disorders CES1, F2, CYP3A5 CYP2C9 24/4885VKORC1 6/4885HSD17B10 257/4885

“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.