SCHEMBL1648327

SCHEMBL1648327

CCOC(=O)CC(c1ccccc1)c1c(O)c2cc(F)ccc2oc1=O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 9/20 0.55
HSD17B10 Q99714 2/20 0.55
ALB P02768 2/20 0.55
VKORC1 Q9BQB6 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
PCSK7 Q16549 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ADORA3 P0DMS8 1/20 0.52
CYP3A4 P08684 1/20 0.51
NQO1 P15559 1/20 0.46
BRD4 O60885 1/20 0.45

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
SCHEMBL1647638 0.87 CYP2C9 (0.72) CYP2C9HSD17B10ALBVKORC1KDM4E
SCHEMBL2615182 0.86 CYP2C9 (0.74) CYP2C9HSD17B10ALBVKORC1KDM4E
SCHEMBL2615180 0.86 CYP2C9 (0.74) CYP2C9HSD17B10ALBVKORC1KDM4E
SCHEMBL13284846 0.80 CYP2C9 (0.65) CYP2C9HSD17B10ALBVKORC1KDM4E
SCHEMBL1647664 0.80 NQO1 (0.65) CYP2C9HSD17B10ALBVKORC1KDM4E
SCHEMBL2615181 0.80 CYP2C9 (0.61) CYP2C9HSD17B10ALBVKORC1KDM4E
SCHEMBL3157772 0.79 CYP2C9 (0.60) CYP2C9HSD17B10ALBVKORC1KDM4E
SCHEMBL5113240 0.78 CYP2C9 (0.69) CYP2C9HSD17B10ALBVKORC1KDM4E
SCHEMBL3173499 0.78 CYP2C9 (0.58) CYP2C9HSD17B10ALBVKORC1KDM4E
SCHEMBL7867179 0.77 CYP2C9 (0.74) CYP2C9HSD17B10ALBVKORC1KDM4E

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 21 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
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
US-7932405-B2 Halogenated ester derivatives of coumarins for the treatment of coagulation disorders ARYX THERAPEUTICS, INC. (US) 2011-04-26 US 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
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-20090082430-A1 Materials and Methods for Treating Coagulation Disorders ARYX THERAPEUTICS, INC. (US) 2009-03-26 US 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-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-7285671-B2 Materials and methods for treating coagulation disorders ARYX THERAPEUTICS (US) 2007-10-23 US disclosed
US-7253208-B2 Materials and methods for treating coagulation disorders ARYX THERAPEUTICS (US) 2007-08-07 US disclosed
US-7253208-B2 Materials and methods for treating coagulation disorders ARYX THERAPEUTICS (US) 2007-08-07 US disclosed
CN-1950353-A Materials and methods for treating coagulation disorders ARYX THERAPEUTICS (US) 2007-04-18 CN 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 (2 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-20080027132-A1 Materials and Methods For Treating Coagulation Disorders F12, F2, SERPINC1 CYP2C9 553/4885HSD17B10 1602/4885ALB 1538/4885
US-20090082430-A1 Materials and Methods for Treating Coagulation Disorders F12, F2, SERPINC1 CYP2C9 553/4885HSD17B10 1602/4885ALB 1538/4885

“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.