SCHEMBL4958234

SCHEMBL4958234

O=C(O)c1cccc(Cc2c(O)c3ccccc3oc2=O)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 8/20 0.73
VKORC1 Q9BQB6 8/20 0.65
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
CYP3A4 P08684 2/20 0.63
CYP2C9 P11712 2/20 0.63
ABCB11 O95342 1/20 0.63
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.63
TP53 P04637 1/20 0.63
CYP1A2 P05177 1/20 0.63
TSHR P16473 1/20 0.63
MAPK1 P28482 1/20 0.63
CYP2C19 P33261 1/20 0.63
PDE4D Q08499 1/20 0.63
PCSK7 Q16549 1/20 0.63
GPR35 Q9HC97 1/20 0.63
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
HSD17B10 Q99714 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
SCHEMBL9213220 0.89 NQO1 (0.60) NQO1VKORC1MEN1KMT2ACYP3A4
SCHEMBL1649888 0.87 NQO1 (0.78) NQO1VKORC1MEN1KMT2ACYP3A4
SCHEMBL4959844 0.86 VKORC1 (0.70) NQO1VKORC1MEN1KMT2ACYP3A4
SCHEMBL29655586 0.86 NQO1 (0.79) NQO1VKORC1MEN1KMT2ACYP3A4
SCHEMBL1649892 0.86 NQO1 (0.79) NQO1VKORC1MEN1KMT2ACYP3A4
SCHEMBL1648186 0.85 NQO1 (1.00) NQO1VKORC1MEN1KMT2ACYP3A4
Benzoic Acid SCHEMBL27687937 0.85 NQO1 (0.73) NQO1VKORC1MEN1KMT2ACYP3A4
SCHEMBL4960728 0.84 VKORC1 (0.64) NQO1VKORC1MEN1KMT2ACYP3A4
SCHEMBL4959822 0.82 VKORC1 (0.62) NQO1VKORC1MEN1KMT2ACYP3A4
SCHEMBL16040590 0.81 NQO1 (0.67) NQO1VKORC1MEN1KMT2ACYP3A4

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
EP-1383756-B1 COUMARIN DERIVATIVES TO BE USED AS ANTICOAGULANTS ARYX THERAPEUTICS (US) 2008-03-05 EP 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 NQO1 249/4885VKORC1 6/4885MEN1 1924/4885
US-20080221204-A1 Materials and Methods for Treating Coagulation Disorders CES1, F2, CYP3A5 NQO1 249/4885VKORC1 6/4885MEN1 1924/4885
US-20070129429-A1 Materials And Methods For Treating Coagulation Disorders CES1, F2, CYP3A5 NQO1 249/4885VKORC1 6/4885MEN1 1924/4885
US-20040220258-A1 Materials and methods for treating coagulation disorders CES1, F2, CYP3A5 NQO1 249/4885VKORC1 6/4885MEN1 1924/4885

“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.