SCHEMBL5113240

SCHEMBL5113240

CCCOC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 8/20 0.69
VKORC1 Q9BQB6 3/20 0.69
HSD17B10 Q99714 2/20 0.69
ALB P02768 2/20 0.69
KDM4E B2RXH2 1/20 0.69
ALDH1A1 P00352 1/20 0.69
PCSK7 Q16549 1/20 0.69
MEN1 O00255 1/20 0.69
KMT2A Q03164 1/20 0.69
CYP3A4 P08684 1/20 0.64
NQO1 P15559 2/20 0.60
ADORA3 P0DMS8 1/20 0.59
NR1I2 O75469 1/20 0.55
NR3C1 P04150 1/20 0.55
ADRA1A P35348 1/20 0.55
KCNH2 Q12809 1/20 0.55

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
SCHEMBL5103750 0.93 CYP2C9 (0.66) CYP2C9VKORC1HSD17B10ALBKDM4E
SCHEMBL1647638 0.91 CYP2C9 (0.72) CYP2C9VKORC1HSD17B10ALBKDM4E
SCHEMBL6827699 0.90 CYP2C9 (0.57) CYP2C9VKORC1HSD17B10ALBKDM4E
SCHEMBL3263995 0.90 CYP2C9 (0.67) CYP2C9VKORC1HSD17B10ALBKDM4E
SCHEMBL3265388 0.87 CYP2C9 (0.64) CYP2C9VKORC1HSD17B10ALBKDM4E
SCHEMBL5106357 0.86 NQO1 (0.64) CYP2C9VKORC1HSD17B10ALBKDM4E
SCHEMBL5972176 0.86 CYP2C9 (0.69) CYP2C9VKORC1HSD17B10ALBKDM4E
SCHEMBL1647642 0.86 CYP2C9 (0.75) CYP2C9VKORC1HSD17B10ALBKDM4E
SCHEMBL3177544 0.86 CYP2C9 (0.61) CYP2C9VKORC1HSD17B10ALBKDM4E
SCHEMBL5106117 0.85 ADORA3 (0.70) CYP2C9VKORC1HSD17B10ALBKDM4E

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 6 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 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 CYP2C9 24/4885VKORC1 6/4885HSD17B10 257/4885
US-20080221204-A1 Materials and Methods for Treating Coagulation Disorders CES1, F2, CYP3A5 CYP2C9 24/4885VKORC1 6/4885HSD17B10 257/4885
US-20070129429-A1 Materials And Methods For Treating Coagulation Disorders CES1, F2, CYP3A5 CYP2C9 24/4885VKORC1 6/4885HSD17B10 257/4885
US-20040220258-A1 Materials and methods for treating coagulation disorders CES1, F2, CYP3A5 CYP2C9 24/4885VKORC1 6/4885HSD17B10 257/4885

“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.