SCHEMBL1649903

SCHEMBL1649903

O=C(O)CCc1ccccc1Cc1c(O)c2ccccc2oc1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 5/20 0.65
ALDH1A1 P00352 3/20 0.65
LMNA P02545 2/20 0.65
MEN1 O00255 1/20 0.65
ABCB11 O95342 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
VKORC1 Q9BQB6 7/20 0.54
KDM4E B2RXH2 1/20 0.50
HSP90AA1 P07900 1/20 0.50
GAA P10253 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
SCHEMBL3480963 0.93 NQO1 (0.57) NQO1ALDH1A1LMNAMEN1ABCB11
SCHEMBL27687956 0.91 NQO1 (0.60) NQO1ALDH1A1LMNAMEN1ABCB11
SCHEMBL1649087 0.86 NQO1 (0.67) NQO1ALDH1A1LMNAMEN1ABCB11
SCHEMBL1649906 0.85 NQO1 (0.75) NQO1ALDH1A1LMNAMEN1ABCB11
SCHEMBL1649884 0.83 NQO1 (0.57) NQO1ALDH1A1LMNAMEN1ABCB11
SCHEMBL1647624 0.82 NQO1 (0.68) NQO1ALDH1A1LMNAMEN1ABCB11
SCHEMBL7406496 0.81 NQO1 (0.77) NQO1ALDH1A1LMNAMEN1ABCB11
SCHEMBL187007 0.81 NQO1 (0.67) NQO1ALDH1A1LMNAMEN1ABCB11
SCHEMBL8945469 0.80 NQO1 (0.49) NQO1ALDH1A1LMNAMEN1ABCB11
Dicumarol SCHEMBL33891 0.80 NQO1 (1.00) NQO1ALDH1A1LMNAMEN1ABCB11

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 390/4885ALDH1A1 992/4885LMNA 171/4885
US-20080027132-A1 Materials and Methods For Treating Coagulation Disorders F12, F2, SERPINC1 NQO1 390/4885ALDH1A1 992/4885LMNA 171/4885
US-20090082430-A1 Materials and Methods for Treating Coagulation Disorders F12, F2, SERPINC1 NQO1 390/4885ALDH1A1 992/4885LMNA 171/4885

“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.