SCHEMBL1649906

SCHEMBL1649906

O=C(O)CCc1ccc(Cc2c(O)c3ccccc3oc2=O)cc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 6/20 0.75
VKORC1 Q9BQB6 8/20 0.68
MEN1 O00255 1/20 0.65
ABCB11 O95342 1/20 0.65
ALDH1A1 P00352 1/20 0.65
LMNA P02545 1/20 0.65
TP53 P04637 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C9 P11712 1/20 0.65
TSHR P16473 1/20 0.65
MAPK1 P28482 1/20 0.65
CYP2C19 P33261 1/20 0.65
KMT2A Q03164 1/20 0.65
PDE4D Q08499 1/20 0.65
PCSK7 Q16549 1/20 0.65
GPR35 Q9HC97 1/20 0.65

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
SCHEMBL27687938 0.93 NQO1 (0.71) NQO1VKORC1MEN1ABCB11ALDH1A1
SCHEMBL1648171 0.87 NQO1 (0.79) NQO1VKORC1MEN1ABCB11ALDH1A1
SCHEMBL1649087 0.86 NQO1 (0.67) NQO1VKORC1MEN1ABCB11ALDH1A1
SCHEMBL1648186 0.86 NQO1 (1.00) NQO1VKORC1MEN1ABCB11ALDH1A1
SCHEMBL3177583 0.85 VKORC1 (0.69) NQO1VKORC1MEN1ABCB11ALDH1A1
SCHEMBL1649903 0.85 NQO1 (0.65) NQO1VKORC1MEN1ABCB11ALDH1A1
SCHEMBL1649892 0.84 NQO1 (0.79) NQO1VKORC1MEN1ABCB11ALDH1A1
SCHEMBL29655586 0.84 NQO1 (0.79) NQO1VKORC1MEN1ABCB11ALDH1A1
SCHEMBL1648127 0.84 NQO1 (0.83) NQO1VKORC1MEN1ABCB11ALDH1A1
SCHEMBL3175636 0.82 NQO1 (0.81) NQO1VKORC1MEN1ABCB11ALDH1A1

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 11 patents. 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
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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20060287388-A1 Materials and Methods for Treating Coagulation Disorders F12, F2, SERPINC1 NQO1 390/4885VKORC1 38/4885MEN1 244/4885
US-20080027132-A1 Materials and Methods For Treating Coagulation Disorders F12, F2, SERPINC1 NQO1 390/4885VKORC1 38/4885MEN1 244/4885
US-20090082430-A1 Materials and Methods for Treating Coagulation Disorders F12, F2, SERPINC1 NQO1 390/4885VKORC1 38/4885MEN1 244/4885

“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.