SCHEMBL4960715

SCHEMBL4960715

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.51
▸ NQO1 P15559 6/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ CYP2C9 P11712 2/20 0.45
▸ CRHBP P24387 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ CASP6 P55212 1/20 0.45
▸ CRHR2 Q13324 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ TOP1 P11387 1/20 0.44

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
SCHEMBL5107208 0.94 ADORA3 (0.53) ADORA3NQO1MEN1KMT2APOLB
SCHEMBL4959579 0.91 ADORA3 (0.60) ADORA3NQO1MEN1KMT2APOLB
SCHEMBL7219960 0.87 NQO1 (0.44) ADORA3NQO1MEN1KMT2ACYP2C9
SCHEMBL7219958 0.86 NQO1 (0.42) ADORA3NQO1CYP2C9
SCHEMBL4960324 0.86 NQO1 (0.57) ADORA3NQO1MEN1KMT2ACYP2C9
SCHEMBL4961559 0.85 NQO1 (0.53) ADORA3NQO1CYP2C9CRHBPCASP7
SCHEMBL4962451 0.83 NQO1 (0.52) ADORA3NQO1CYP2C9
SCHEMBL6924340 0.82 NQO1 (0.53) ADORA3NQO1MEN1KMT2ACYP2C9
SCHEMBL6918020 0.82 NQO1 (0.50) ADORA3NQO1CYP2C9
SCHEMBL1649145 0.81 ADORA3 (0.65) ADORA3NQO1MEN1KMT2APOLB

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 11 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
EP-1383756-A1 COUMARIN DERIVATIVES TO BE USED AS ANTICOAGULANTS Arxy Therapeutics (US) 2004-01-28 — — EP disclosed
US-20030199573-A1 Materials and methods for treating coagulation disorders ARYX THERAPEUTICS, INC. 2003-10-23 — — US disclosed
WO-2002085882-A1 COUMARIN DERIVATIVES TO BE USED AS ANTICOAGULANTS ARXY THERAPEUTICS (US) 2002-10-31 — — WO 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 2300/4885NQO1 249/4885MEN1 1924/4885
US-20080221204-A1 Materials and Methods for Treating Coagulation Disorders CES1, F2, CYP3A5 ADORA3 2300/4885NQO1 249/4885MEN1 1924/4885
US-20070129429-A1 Materials And Methods For Treating Coagulation Disorders CES1, F2, CYP3A5 ADORA3 2300/4885NQO1 249/4885MEN1 1924/4885
US-20040220258-A1 Materials and methods for treating coagulation disorders CES1, F2, CYP3A5 ADORA3 2300/4885NQO1 249/4885MEN1 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.

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