SCHEMBL1647670

SCHEMBL1647670

CCCCOC(=O)c1ccc(Cc2c(O)c3ccccc3oc2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VKORC1 Q9BQB6 7/20 0.64
NQO1 P15559 4/20 0.59
MAPT P10636 1/20 0.55
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.54
MEN1 O00255 1/20 0.54
ABCB11 O95342 1/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 1/20 0.54
PDE4D Q08499 1/20 0.54
PCSK7 Q16549 1/20 0.54
GPR35 Q9HC97 1/20 0.54
HTT P42858 1/20 0.51
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL4957547 0.94 VKORC1 (0.63) VKORC1NQO1ALDH1A1LMNAMEN1
SCHEMBL1649128 0.89 ALDH1A1 (0.66) VKORC1NQO1ALDH1A1LMNAMEN1
SCHEMBL4962356 0.89 VKORC1 (0.60) VKORC1NQO1MAPTALDH1A1LMNA
SCHEMBL1647685 0.88 VKORC1 (0.65) VKORC1NQO1ALDH1A1LMNAMEN1
SCHEMBL6826147 0.87 VKORC1 (0.58) VKORC1NQO1MAPTALDH1A1LMNA
SCHEMBL4399497 0.85 VKORC1 (0.58) VKORC1NQO1ALDH1A1LMNAMEN1
SCHEMBL1648184 0.84 VKORC1 (0.72) VKORC1NQO1ALDH1A1LMNAMEN1
SCHEMBL1648114 0.84 VKORC1 (0.62) VKORC1NQO1ALDH1A1LMNAMEN1
SCHEMBL3171054 0.84 VKORC1 (0.61) VKORC1NQO1ALDH1A1LMNAMEN1
SCHEMBL4961489 0.83 NQO1 (0.55) VKORC1NQO1ALDH1A1LMNAMEN1

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
US-20080221204-A1 Materials and Methods for Treating Coagulation Disorders DRUZGALA PASCAL 2008-09-11 US claimed
EP-1383756-B1 COUMARIN DERIVATIVES TO BE USED AS ANTICOAGULANTS ARYX THERAPEUTICS (US) 2008-03-05 EP 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
US-7253208-B2 Materials and methods for treating coagulation disorders ARYX THERAPEUTICS (US) 2007-08-07 US disclosed
US-20070129429-A1 Materials And Methods For Treating Coagulation Disorders ARYX THERAPEUTICS, INC. 2007-06-07 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-20030199573-A1 Materials and methods for treating coagulation disorders ARYX THERAPEUTICS, INC. 2003-10-23 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-20050245603-A1 Materials and methods for treating coagulation disorders F12, F2, SERPINC1 VKORC1 38/4885NQO1 390/4885MAPT 4805/4885
US-20030199573-A1 Materials and methods for treating coagulation disorders CES1, F2, CYP3A5 VKORC1 6/4885NQO1 249/4885MAPT 3347/4885
US-20060287388-A1 Materials and Methods for Treating Coagulation Disorders F12, F2, SERPINC1 VKORC1 38/4885NQO1 390/4885MAPT 4805/4885
US-20080221204-A1 Materials and Methods for Treating Coagulation Disorders CES1, F2, CYP3A5 VKORC1 6/4885NQO1 249/4885MAPT 3347/4885
US-20080027132-A1 Materials and Methods For Treating Coagulation Disorders F12, F2, SERPINC1 VKORC1 38/4885NQO1 390/4885MAPT 4805/4885
US-20090082430-A1 Materials and Methods for Treating Coagulation Disorders F12, F2, SERPINC1 VKORC1 38/4885NQO1 390/4885MAPT 4805/4885
US-20070129429-A1 Materials And Methods For Treating Coagulation Disorders CES1, F2, CYP3A5 VKORC1 6/4885NQO1 249/4885MAPT 3347/4885
US-20040220258-A1 Materials and methods for treating coagulation disorders CES1, F2, CYP3A5 VKORC1 6/4885NQO1 249/4885MAPT 3347/4885

“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.