SCHEMBL5111769

SCHEMBL5111769

CCC(C(=O)OC(C)C)c1c(O)c2ccccc2oc1=O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.62
CYP2C9 P11712 7/20 0.60
NQO1 P15559 4/20 0.58
VKORC1 Q9BQB6 3/20 0.54
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALB P02768 1/20 0.53
PCSK7 Q16549 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CRHBP P24387 1/20 0.52
CASP7 P55210 1/20 0.52
CASP6 P55212 1/20 0.52
CRHR2 Q13324 1/20 0.52
HIF1A Q16665 1/20 0.52
TOP1 P11387 1/20 0.51

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
SCHEMBL1647635 0.88 ADORA3 (0.77) ADORA3CYP2C9NQO1VKORC1ALDH1A1
SCHEMBL5103844 0.88 NQO1 (0.72) ADORA3CYP2C9NQO1VKORC1ALDH1A1
SCHEMBL5106662 0.85 ADORA3 (0.62) ADORA3CYP2C9NQO1VKORC1ALDH1A1
SCHEMBL5103329 0.83 ADORA3 (0.60) ADORA3CYP2C9NQO1VKORC1ALDH1A1
SCHEMBL5100306 0.83 CYP2C9 (0.71) ADORA3CYP2C9NQO1VKORC1ALDH1A1
SCHEMBL5103335 0.81 NQO1 (0.65) ADORA3CYP2C9NQO1VKORC1ALDH1A1
SCHEMBL14078663 0.79 CYP2C9 (0.72) ADORA3CYP2C9NQO1VKORC1CRHBP
SCHEMBL8042698 0.79 CYP2C9 (0.86) ADORA3CYP2C9NQO1VKORC1ALDH1A1
SCHEMBL5100656 0.77 CYP2C9 (0.72) CYP2C9NQO1VKORC1ALDH1A1KDM4E
Ethyl Biscoumacetate SCHEMBL42830 0.77 ADORA3 (1.00) ADORA3CYP2C9NQO1VKORC1ALDH1A1

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 8 patents. 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
US-7145020-B2 Materials and methods for treating coagulation disorders ARYX THERAPEUTICS (US) 2006-12-05 US claimed
US-20080221204-A1 Materials and Methods for Treating Coagulation Disorders DRUZGALA PASCAL 2008-09-11 US disclosed
US-20070129429-A1 Materials And Methods For Treating Coagulation Disorders ARYX THERAPEUTICS, INC. 2007-06-07 US disclosed
US-7145020-B2 Materials and methods for treating coagulation disorders ARYX THERAPEUTICS (US) 2006-12-05 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 (4 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-20030199573-A1 Materials and methods for treating coagulation disorders CES1, F2, CYP3A5 ADORA3 2300/4885CYP2C9 24/4885NQO1 249/4885
US-20080221204-A1 Materials and Methods for Treating Coagulation Disorders CES1, F2, CYP3A5 ADORA3 2300/4885CYP2C9 24/4885NQO1 249/4885
US-20070129429-A1 Materials And Methods For Treating Coagulation Disorders CES1, F2, CYP3A5 ADORA3 2300/4885CYP2C9 24/4885NQO1 249/4885
US-20040220258-A1 Materials and methods for treating coagulation disorders CES1, F2, CYP3A5 ADORA3 2300/4885CYP2C9 24/4885NQO1 249/4885

“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.