SCHEMBL5100298

SCHEMBL5100298

COC(=O)CC(c1c(O)c2ccccc2oc1=O)C1CCCCC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VKORC1 Q9BQB6 3/20 0.78
NQO1 P15559 3/20 0.55
CYP2C9 P11712 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ALB P02768 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PCSK7 Q16549 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
CRHBP P24387 1/20 0.48
HTT P42858 1/20 0.48
CRHR2 Q13324 1/20 0.48
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL5100246 0.99 VKORC1 (0.77) VKORC1NQO1CYP2C9MEN1KMT2A
SCHEMBL1647660 0.90 VKORC1 (0.76) VKORC1NQO1CYP2C9MEN1KMT2A
SCHEMBL5112806 0.88 VKORC1 (0.74) VKORC1NQO1CYP2C9MEN1KMT2A
SCHEMBL5106976 0.88 VKORC1 (0.73) VKORC1NQO1CYP2C9MEN1KMT2A
SCHEMBL6825815 0.87 VKORC1 (0.61) VKORC1NQO1CYP2C9MEN1KMT2A
SCHEMBL1648619 0.87 VKORC1 (0.81) VKORC1NQO1CYP2C9MEN1KMT2A
SCHEMBL5112793 0.87 VKORC1 (0.71) VKORC1NQO1CYP2C9MEN1KMT2A
SCHEMBL5106471 0.85 VKORC1 (0.79) VKORC1NQO1CYP2C9MEN1KMT2A
SCHEMBL6827896 0.82 VKORC1 (0.54) VKORC1NQO1CYP2C9MEN1KMT2A
SCHEMBL6826370 0.79 VKORC1 (0.50) VKORC1CYP2C9MEN1KMT2AHSD17B10

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 VKORC1 6/4885NQO1 249/4885CYP2C9 24/4885
US-20080221204-A1 Materials and Methods for Treating Coagulation Disorders CES1, F2, CYP3A5 VKORC1 6/4885NQO1 249/4885CYP2C9 24/4885
US-20070129429-A1 Materials And Methods For Treating Coagulation Disorders CES1, F2, CYP3A5 VKORC1 6/4885NQO1 249/4885CYP2C9 24/4885
US-20040220258-A1 Materials and methods for treating coagulation disorders CES1, F2, CYP3A5 VKORC1 6/4885NQO1 249/4885CYP2C9 24/4885

“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.