SCHEMBL1647627

SCHEMBL1647627

O=C(O)C(Cc1ccccc1)Cc1c(O)c2ccccc2oc1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 5/20 0.64
▸ ALDH1A1 P00352 3/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ TP53 P04637 2/20 0.58
▸ TSHR P16473 2/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ ABCB11 O95342 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ PDE4D Q08499 1/20 0.58
▸ PCSK7 Q16549 1/20 0.58
▸ GPR35 Q9HC97 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ VKORC1 Q9BQB6 7/20 0.52
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50

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
SCHEMBL6822455 0.91 NQO1 (0.54) NQO1ALDH1A1CYP1A2LMNATP53
SCHEMBL6825211 0.90 ADORA3 (0.56) NQO1ALDH1A1CYP1A2LMNATP53
SCHEMBL5107449 0.90 NQO1 (0.58) NQO1ALDH1A1CYP1A2LMNATP53
SCHEMBL5113813 0.87 NQO1 (0.57) NQO1ALDH1A1CYP1A2LMNATP53
SCHEMBL27687934 0.87 NQO1 (0.57) NQO1ALDH1A1CYP1A2LMNATP53
SCHEMBL1649931 0.86 ADORA3 (0.59) NQO1ALDH1A1CYP1A2LMNATP53
SCHEMBL5106631 0.84 NQO1 (0.54) NQO1ALDH1A1CYP1A2LMNATP53
SCHEMBL9206009 0.83 NQO1 (0.66) NQO1ALDH1A1CYP1A2LMNATP53
SCHEMBL5112817 0.82 NQO1 (0.52) NQO1ALDH1A1CYP1A2LMNATP53
SCHEMBL7354624 0.80 CYP2C9 (0.69) NQO1ALDH1A1CYP1A2LMNATP53

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 21 patents — showing the first 20. 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
EP-2161261-B1 Materials and methods for treating coagulation disorders ARMETHEON INC (US) 2013-08-28 — — EP disclosed
CN-1950353-B Materials and methods for treating coagulation disorders ARYX THERAPEUTICS 2011-06-01 — — CN disclosed
US-7932405-B2 Halogenated ester derivatives of coumarins for the treatment of coagulation disorders ARYX THERAPEUTICS, INC. (US) 2011-04-26 — — US disclosed
EP-2161261-A1 Materials and methods for treating coagulation disorders Aryx Therapeutics (US) 2010-03-10 — — EP disclosed
EP-1735296-B1 MATERIALS AND METHODS FOR TREATING COAGULATION DISORDERS ARYX THERAPEUTICS (US) 2009-12-09 — — EP disclosed
US-20090082430-A1 Materials and Methods for Treating Coagulation Disorders ARYX THERAPEUTICS, INC. (US) 2009-03-26 — — US disclosed
US-20080221204-A1 Materials and Methods for Treating Coagulation Disorders DRUZGALA PASCAL 2008-09-11 — — US disclosed
US-7285671-B2 Materials and methods for treating coagulation disorders ARYX THERAPEUTICS (US) 2007-10-23 — — US disclosed
US-7253208-B2 Materials and methods for treating coagulation disorders ARYX THERAPEUTICS (US) 2007-08-07 — — US disclosed
CN-1950353-A Materials and methods for treating coagulation disorders ARYX THERAPEUTICS (US) 2007-04-18 — — CN disclosed
US-20060287388-A1 Materials and Methods for Treating Coagulation Disorders ARYX THERAPEUTICS (US) 2006-12-21 — — US disclosed
US-7145020-B2 Materials and methods for treating coagulation disorders ARYX THERAPEUTICS (US) 2006-12-05 — — US disclosed
US-20050245603-A1 Materials and methods for treating coagulation disorders ESPERO BIOPHARMA, INC. 2005-11-03 — — 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 (6 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-20050245603-A1 Materials and methods for treating coagulation disorders F12, F2, SERPINC1 NQO1 390/4885ALDH1A1 992/4885CYP1A2 582/4885
US-20030199573-A1 Materials and methods for treating coagulation disorders CES1, F2, CYP3A5 NQO1 249/4885ALDH1A1 289/4885CYP1A2 37/4885
US-20060287388-A1 Materials and Methods for Treating Coagulation Disorders F12, F2, SERPINC1 NQO1 390/4885ALDH1A1 992/4885CYP1A2 582/4885
US-20080221204-A1 Materials and Methods for Treating Coagulation Disorders CES1, F2, CYP3A5 NQO1 249/4885ALDH1A1 289/4885CYP1A2 37/4885
US-20090082430-A1 Materials and Methods for Treating Coagulation Disorders F12, F2, SERPINC1 NQO1 390/4885ALDH1A1 992/4885CYP1A2 582/4885
US-20040220258-A1 Materials and methods for treating coagulation disorders CES1, F2, CYP3A5 NQO1 249/4885ALDH1A1 289/4885CYP1A2 37/4885

“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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