SCHEMBL4960324

SCHEMBL4960324

COC(=O)c1ccccc1C(c1oc(=O)c2ccccc2c1O)c1c(O)c2ccccc2oc1=O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 9/20 0.57
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP2C9 P11712 1/20 0.51
CRHBP P24387 1/20 0.51
CASP7 P55210 1/20 0.51
CASP6 P55212 1/20 0.51
CRHR2 Q13324 1/20 0.51
HIF1A Q16665 1/20 0.51
TOP1 P11387 1/20 0.50
ADORA3 P0DMS8 1/20 0.49

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
SCHEMBL6924340 0.96 NQO1 (0.53) NQO1MEN1KMT2ACYP2C9CRHBP
SCHEMBL4959579 0.89 ADORA3 (0.60) NQO1MEN1KMT2ACYP2C9CRHBP
SCHEMBL5107208 0.87 ADORA3 (0.53) NQO1MEN1KMT2ACYP2C9CRHBP
SCHEMBL4958904 0.87 MEN1 (0.57) NQO1MEN1KMT2ACYP2C9CRHBP
SCHEMBL4960715 0.86 ADORA3 (0.51) NQO1MEN1KMT2ACYP2C9CRHBP
SCHEMBL4960881 0.83 NQO1 (0.60) NQO1MEN1KMT2ACYP2C9CRHBP
SCHEMBL4962535 0.81 NQO1 (0.58) NQO1CYP2C9CRHBPCASP7CASP6
SCHEMBL1649145 0.78 ADORA3 (0.65) NQO1MEN1KMT2ACYP2C9CRHBP
SCHEMBL4958903 0.75 ADORA3 (0.60) NQO1MEN1KMT2ACYP2C9CRHBP
SCHEMBL1649142 0.74 NQO1 (0.73) NQO1MEN1KMT2ACYP2C9CRHBP

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 9 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
EP-1383756-B1 COUMARIN DERIVATIVES TO BE USED AS ANTICOAGULANTS ARYX THERAPEUTICS (US) 2008-03-05 EP 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 NQO1 249/4885MEN1 1924/4885KMT2A 1594/4885
US-20080221204-A1 Materials and Methods for Treating Coagulation Disorders CES1, F2, CYP3A5 NQO1 249/4885MEN1 1924/4885KMT2A 1594/4885
US-20070129429-A1 Materials And Methods For Treating Coagulation Disorders CES1, F2, CYP3A5 NQO1 249/4885MEN1 1924/4885KMT2A 1594/4885
US-20040220258-A1 Materials and methods for treating coagulation disorders CES1, F2, CYP3A5 NQO1 249/4885MEN1 1924/4885KMT2A 1594/4885

“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.