SCHEMBL6542961

SCHEMBL6542961

O=c1ccc2ccc(Oc3ccc4ccc(=O)oc4c3)cc2o1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 13/20 0.72
CA9 Q16790 13/20 0.72
CA1 P00915 11/20 0.72
CA6 P23280 5/20 0.72
CA7 P43166 5/20 0.72
CA14 Q9ULX7 5/20 0.72
CA4 P22748 5/20 0.72
CA5A P35218 3/20 0.72
KDM4E B2RXH2 3/20 0.72
CA3 P07451 3/20 0.72
ALDH1A1 P00352 2/20 0.72
AKR1B1 P15121 2/20 0.72
HPGD P15428 2/20 0.72
HSD17B10 Q99714 2/20 0.72
CA5B Q9Y2D0 3/20 0.66
CYP1A2 P05177 1/20 0.66
GLA P06280 3/20 0.64
GAA P10253 3/20 0.64
POLB P06746 3/20 0.64
TDP1 Q9NUW8 2/20 0.64

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
SCHEMBL14802536 0.91 CA12 (0.63) CA12CA9CA1CA6CA7
SCHEMBL13376996 0.89 CA12 (0.60) CA12CA9CA1CA6CA7
SCHEMBL14802647 0.89 GBA1 (0.65) CA12CA9CA1CA6CA7
SCHEMBL14802648 0.85 CA12 (0.59) CA12CA9CA1CA6CA7
Herniarin SCHEMBL17629468 0.84 CA12 (1.00) CA12CA9CA1CA6CA7
SCHEMBL10813314 0.84 CA12 (0.68) CA12CA9CA1CA6CA7
Herniarin SCHEMBL61221 0.84 CA12 (1.00) CA12CA9CA1CA6CA7
SCHEMBL21133102 0.84 CA12 (0.68) CA12CA9CA1CA6CA7
SCHEMBL21251462 0.84 CA12 (0.68) CA12CA9CA1CA6CA7
Herniarin SCHEMBL29437733 0.84 CA12 (1.00) CA12CA9CA1CA6CA7

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6750032-B2 DETECTION OF BLOOD COAGULATION DEFECTS; OBTAIN BLOOD SAMPLE, INCUBATE WITH MODULATOR, MONITOR COAGULATION AND DISSOLUTION, EVALUATE FOR DEFECTS DADE BEHRING MARBURG GMBH (DE) 2004-06-15 US claimed
US-20030027235-A1 Novel method and diagnostic agent for hemostasis diagnosis DADE BEHRING MARBURG GMBH (DE) 2003-02-06 US claimed
US-6187594-B1 MIXING SAMPLE AND AT LEAST TWO SUBSTANCES WHICH INTERACT WITH EACH OTHER, AT LEAST ONE SUBSTANCE BINDS TO THE BLOOD CLOT; MEASURING SIGNAL; CORRELATING WITH DEGREE OF PLATELET AGGREGATION, CLOT FORMATION AND/OR CLOT DISSOLUTION DADE BEHRING MARBURG GMBH (DE) 2001-02-13 US claimed
US-6800768-B1 STABLE PHOTOACTIVE COUMARIN COMPOUNDS THAT CAN BE USED AS PHOTO-CROSSLINKING REAGENTS IN NUCLEIC ACID HYBRIDIZATION ASSAYS AND THERAPEUTIC APPLICATIONS NAXCOR, INC. 2004-10-05 US disclosed
US-6750032-B2 DETECTION OF BLOOD COAGULATION DEFECTS; OBTAIN BLOOD SAMPLE, INCUBATE WITH MODULATOR, MONITOR COAGULATION AND DISSOLUTION, EVALUATE FOR DEFECTS DADE BEHRING MARBURG GMBH (DE) 2004-06-15 US disclosed
WO-2004022703-A2 NON-NUCLEOSIDIC COUMARIN DERIVATIVES AS POLYNUCLEOTIDE-CROSSLINKING AGENTS NAXCOR, INC. (US) 2004-03-18 WO disclosed
US-6632599-B1 Detection and determination of solid phase-associated factors DADE BEHRING MARBURG GMBH (DE) 2003-10-14 US disclosed
US-20030027235-A1 Novel method and diagnostic agent for hemostasis diagnosis DADE BEHRING MARBURG GMBH (DE) 2003-02-06 US disclosed
US-6482653-B1 Method and diagnostic agent for hemostasis diagnosis DADE BEHRING MARBURG GMBH (DE) 2002-11-19 US disclosed
US-6187594-B1 MIXING SAMPLE AND AT LEAST TWO SUBSTANCES WHICH INTERACT WITH EACH OTHER, AT LEAST ONE SUBSTANCE BINDS TO THE BLOOD CLOT; MEASURING SIGNAL; CORRELATING WITH DEGREE OF PLATELET AGGREGATION, CLOT FORMATION AND/OR CLOT DISSOLUTION DADE BEHRING MARBURG GMBH (DE) 2001-02-13 US disclosed