SCHEMBL4961266

SCHEMBL4961266

CCCOC(=O)c1ccccc1Cc1c(O)c2ccccc2oc1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 4/20 0.57
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 1/20 0.56
ABCB11 O95342 1/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
PDE4D Q08499 1/20 0.56
PCSK7 Q16549 1/20 0.56
GPR35 Q9HC97 1/20 0.56
KDM4E B2RXH2 1/20 0.53
VKORC1 Q9BQB6 5/20 0.51
MAOB P27338 2/20 0.50
POLB P06746 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
SCHEMBL4961489 0.94 NQO1 (0.55) NQO1ALDH1A1MEN1ABCB11LMNA
SCHEMBL4962302 0.91 ALDH1A1 (0.62) NQO1ALDH1A1MEN1ABCB11LMNA
SCHEMBL1648603 0.86 NQO1 (0.59) NQO1ALDH1A1MEN1ABCB11LMNA
SCHEMBL1649133 0.86 NQO1 (0.62) NQO1ALDH1A1MEN1ABCB11LMNA
SCHEMBL4957547 0.82 VKORC1 (0.63) NQO1ALDH1A1MEN1ABCB11LMNA
SCHEMBL1647624 0.81 NQO1 (0.68) NQO1ALDH1A1MEN1ABCB11LMNA
SCHEMBL4959822 0.80 VKORC1 (0.62) NQO1ALDH1A1MEN1ABCB11LMNA
SCHEMBL6826147 0.77 VKORC1 (0.58) NQO1ALDH1A1MEN1ABCB11LMNA
SCHEMBL1647670 0.76 VKORC1 (0.64) NQO1ALDH1A1MEN1ABCB11LMNA
SCHEMBL6141726 0.76 NQO1 (0.72) NQO1ALDH1A1MEN1ABCB11LMNA

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
EP-1383756-B1 COUMARIN DERIVATIVES TO BE USED AS ANTICOAGULANTS ARYX THERAPEUTICS (US) 2008-03-05 EP 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 249/4885ALDH1A1 289/4885MEN1 1924/4885
US-20080221204-A1 Materials and Methods for Treating Coagulation Disorders CES1, F2, CYP3A5 NQO1 249/4885ALDH1A1 289/4885MEN1 1924/4885
US-20070129429-A1 Materials And Methods For Treating Coagulation Disorders CES1, F2, CYP3A5 NQO1 249/4885ALDH1A1 289/4885MEN1 1924/4885
US-20040220258-A1 Materials and methods for treating coagulation disorders CES1, F2, CYP3A5 NQO1 249/4885ALDH1A1 289/4885MEN1 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.