SCHEMBL2952247

SCHEMBL2952247

CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C2C1c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.50
CA5A P35218 2/20 0.50
LMNA P02545 3/20 0.47
CYP3A4 P08684 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.47
USP2 O75604 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
FLT3 P36888 1/20 0.46
KDM4E B2RXH2 3/20 0.44
GLA P06280 2/20 0.44
GAA P10253 2/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ACHE P22303 2/20 0.44
OPRM1 P35372 1/20 0.43

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
SCHEMBL29326329 0.84 L3MBTL1 (0.44) CA2CA5ALMNACYP3A4ALDH1A1
SCHEMBL13817415 0.81 CA12 (0.46) CA2CA5ALMNACYP3A4ALDH1A1
SCHEMBL20785576 0.81 CA12 (0.46) CA2CA5ALMNACYP3A4ALDH1A1
SCHEMBL6566874 0.81 L3MBTL1 (0.50) CA2CA5ALMNACYP3A4ALDH1A1
SCHEMBL29325794 0.78 LMNA (0.48) CA2CA5ALMNACYP3A4ALDH1A1
SCHEMBL12205513 0.78 NR3C1 (0.54) CA2CA5ALMNACYP3A4ALDH1A1
SCHEMBL29438813 0.77 CYP2C9 (0.61) CA2CA5ALMNACYP3A4ALDH1A1
SCHEMBL23964033 0.76 LMNA (0.50) CA2CA5ALMNACYP3A4ALDH1A1
SCHEMBL30997080 0.76 LMNA (0.50) CA2CA5ALMNACYP3A4ALDH1A1
SCHEMBL2945912 0.76 ALDH1A1 (0.51) CA2CA5ACYP3A4ALDH1A1MEN1

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 13 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