SCHEMBL2945912

SCHEMBL2945912

COc1ccc2c(c1)Oc1cc(OC)ccc1C2C1c2ccc(OC)cc2Oc2cc(OC)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
GAA P10253 1/20 0.50
MAPT P10636 5/20 0.47
NR3C1 P04150 1/20 0.44
TRPA1 O75762 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
ABCB1 P08183 2/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP19A1 P11511 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL16775331 0.84 ALDH1A1 (0.47) ALDH1A1GAAMAPTNR3C1MEN1
SCHEMBL8582888 0.84 ALDH1A1 (0.49) ALDH1A1GAAMAPTNR3C1TRPA1
SCHEMBL13991939 0.84 ALDH1A1 (0.49) ALDH1A1GAAMAPTNR3C1TRPA1
SCHEMBL16755699 0.83 ALDH1A1 (0.46) ALDH1A1GAAMAPTNR3C1MEN1
SCHEMBL16755702 0.81 MAPKAPK2 (0.48) ALDH1A1GAAMAPTNR3C1TRPA1
SCHEMBL16772507 0.78 ALDH1A1 (0.42) ALDH1A1GAAMAPTNR3C1MEN1
SCHEMBL16772508 0.77 ALDH1A1 (0.41) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL11736489 0.77 MAOA (0.61) ALDH1A1GAAMAPTNR3C1TRPA1
SCHEMBL2952247 0.76 CA2 (0.50) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL7783619 0.76 ALDH1A1 (0.52) ALDH1A1MAPTNR3C1MEN1KMT2A

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