SCHEMBL1647996

SCHEMBL1647996

CCOC(=O)CCc1c(O)c2ccccc2oc1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
KDM4E B2RXH2 3/20 0.60
HPGD P15428 2/20 0.60
GLA P06280 1/20 0.60
GAA P10253 1/20 0.60
CASP1 P29466 1/20 0.60
CASP7 P55210 1/20 0.60
HSD17B10 Q99714 1/20 0.60
ADORA3 P0DMS8 1/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
NQO1 P15559 3/20 0.57
LMNA P02545 2/20 0.57
ABCB11 O95342 1/20 0.57
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57

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
SCHEMBL1649884 0.88 NQO1 (0.57) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL27448033 0.86 ALDH1A1 (0.56) ALDH1A1KDM4EHSD17B10ADORA3MEN1
SCHEMBL1649087 0.81 NQO1 (0.67) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL16724774 0.81 RAB9A (0.51) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL2052391 0.80 NQO1 (0.65) ALDH1A1KDM4EMEN1KMT2ANQO1
SCHEMBL15851233 0.79 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL15851240 0.79 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL15851235 0.79 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL15851241 0.79 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL15851234 0.79 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDHSD17B10MEN1

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
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
US-7666902-B2 1,1,1,3,3,3-hexachloro-2-methylpropan-2-yl 4-((4-hydroxy-2-oxo-2H-chromen-3-yl)methyl)benzoate; side effect reduction over warfarin ARYX THERAPEUTICS, INC. (US) 2010-02-23 US 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-20080027132-A1 Materials and Methods For Treating Coagulation Disorders ARYX THERAPEUTICS (US) 2008-01-31 US disclosed
US-7285671-B2 Materials and methods for treating coagulation disorders ARYX THERAPEUTICS (US) 2007-10-23 US disclosed
US-20070129429-A1 Materials And Methods For Treating Coagulation Disorders ARYX THERAPEUTICS, INC. 2007-06-07 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 (8 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 ALDH1A1 992/4885KDM4E 3391/4885HPGD 457/4885
US-20030199573-A1 Materials and methods for treating coagulation disorders CES1, F2, CYP3A5 ALDH1A1 289/4885KDM4E 1159/4885HPGD 209/4885
US-20060287388-A1 Materials and Methods for Treating Coagulation Disorders F12, F2, SERPINC1 ALDH1A1 992/4885KDM4E 3391/4885HPGD 457/4885
US-20080221204-A1 Materials and Methods for Treating Coagulation Disorders CES1, F2, CYP3A5 ALDH1A1 289/4885KDM4E 1159/4885HPGD 209/4885
US-20080027132-A1 Materials and Methods For Treating Coagulation Disorders F12, F2, SERPINC1 ALDH1A1 992/4885KDM4E 3391/4885HPGD 457/4885
US-20090082430-A1 Materials and Methods for Treating Coagulation Disorders F12, F2, SERPINC1 ALDH1A1 992/4885KDM4E 3391/4885HPGD 457/4885
US-20070129429-A1 Materials And Methods For Treating Coagulation Disorders CES1, F2, CYP3A5 ALDH1A1 289/4885KDM4E 1159/4885HPGD 209/4885
US-20040220258-A1 Materials and methods for treating coagulation disorders CES1, F2, CYP3A5 ALDH1A1 289/4885KDM4E 1159/4885HPGD 209/4885

“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.