SCHEMBL2957574

SCHEMBL2957574

Oc1ccc2c(c1)Oc1cc(O)ccc1C2C1c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
ALOX15 P16050 2/20 0.46
ALOX12 P18054 2/20 0.46
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
BRCA1 P38398 1/20 0.46
STAT6 P42226 1/20 0.46
HBB P68871 1/20 0.46
HIF1A Q16665 1/20 0.46
MAPT P10636 4/20 0.45
MAPK1 P28482 2/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
THRB P10828 2/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL21032529 0.84 MAOA (0.52) ALDH1A1ALOX15ALOX12CASP1CASP7
SCHEMBL16755701 0.82 MAPT (0.62) ALDH1A1ALOX15ALOX12CASP1CASP7
SCHEMBL9810672 0.82 MEN1 (0.44) ALDH1A1ALOX15ALOX12CASP1CASP7
SCHEMBL16755694 0.81 MAPT (0.64) ALDH1A1ALOX15ALOX12CASP1CASP7
Benzene SCHEMBL5176579 0.80 MAOA (0.54) ALDH1A1ALOX15ALOX12CASP1CASP7
SCHEMBL6684310 0.77 ALDH1A1 (0.51) ALDH1A1ALOX15ALOX12CASP1CASP7
SCHEMBL16755711 0.77 MAPKAPK2 (0.44) ALDH1A1ALOX15ALOX12CASP1CASP7
SCHEMBL16772550 0.76 ALDH1A1 (0.55) ALDH1A1ALOX15ALOX12CASP1CASP7
SCHEMBL19851151 0.76 MEN1 (0.64) ALDH1A1ALOX15ALOX12CASP1CASP7
SCHEMBL7867598 0.74 ESR1 (0.43) ALDH1A1CYP3A4MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080233438-A1 Fuel for fuel cell, fuel cell and application thereof KURITA WATER INDUSTRIES LTD. (JP) 2008-09-25 US claimed
US-7220294-B2 Forming ambient pressure and temperature, lightweight, transportable power source; contacting gas with organic compound in pressurized state KURITA WATER INDUSTRIES LTD. (JP) 2007-05-22 US claimed
EP-1705740-A1 FUEL FOR FUEL CELL, FUEL CELL AND APPLICATION THEREOF Kurita Water Industries Ltd. (JP) 2006-09-27 EP claimed
US-20040230084-A1 Forming ambient pressure and temperature, lightweight, transportable power source; contacting gas with organic compound in pressurized state KURITA WATER INDUSTRIES LTD. (JP) 2004-11-18 US claimed
EP-1428831-A1 METHOD OF STORING HYDROGEN, HYDROGEN INCLUSION COMPOUND AND PROCESS FOR PRODUCING THE SAME KURITA WATER INDUSTRIES LTD. (JP) 2004-06-16 EP claimed
US-7749625-B2 Fuel for fuel cell, fuel cell and application thereof KURITA WATER INDUSTRIES LTD. (JP) 2010-07-06 US disclosed
US-20100092825-A1 Fuel cell, fuel cell system, and portable electronic device KURITA WATER INDUSTRIES LTD. (JP) 2010-04-15 US disclosed
US-20080233438-A1 Fuel for fuel cell, fuel cell and application thereof KURITA WATER INDUSTRIES LTD. (JP) 2008-09-25 US disclosed
US-7220294-B2 Forming ambient pressure and temperature, lightweight, transportable power source; contacting gas with organic compound in pressurized state KURITA WATER INDUSTRIES LTD. (JP) 2007-05-22 US disclosed
EP-1705740-A1 FUEL FOR FUEL CELL, FUEL CELL AND APPLICATION THEREOF Kurita Water Industries Ltd. (JP) 2006-09-27 EP disclosed
US-20060063058-A1 Fuel supplying system for fuel cell and fuel cell employing the same KONICA MINOLTA HOLDINGS, INC. (JP) 2006-03-23 US disclosed
US-20040230084-A1 Forming ambient pressure and temperature, lightweight, transportable power source; contacting gas with organic compound in pressurized state KURITA WATER INDUSTRIES LTD. (JP) 2004-11-18 US disclosed
EP-1428831-A1 METHOD OF STORING HYDROGEN, HYDROGEN INCLUSION COMPOUND AND PROCESS FOR PRODUCING THE SAME KURITA WATER INDUSTRIES LTD. (JP) 2004-06-16 EP disclosed
JP-2001019688-A MOLECULAR COMPOUND CONTAINING BIXANTHENE DERIVATIVE AS CONSTITUENT COMPOUND NIPPON SODA CO LTD 2001-01-23 JP disclosed