SCHEMBL5528933

SCHEMBL5528933

COc1cc(CO)c(P(c2c(CO)cc(OC)cc2OC)c2c(OC)cc(CO)cc2OC)c(CO)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 2/20 0.39
▸ PDE4B Q07343 2/20 0.39
▸ PDE4C Q08493 2/20 0.39
▸ PDE4D Q08499 2/20 0.39
▸ MAPT P10636 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CALM1 P0DP23 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ PTPN1 P18031 2/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.33
▸ DAO P14920 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ FNTA P49354 1/20 0.32
▸ FNTB P49356 1/20 0.32
▸ PDE5A O76074 1/20 0.32
▸ PDE1A P54750 1/20 0.32
▸ PDE1B Q01064 1/20 0.32
▸ PDE3B Q13370 1/20 0.32

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
SCHEMBL16216742 0.98 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL180252 0.76 ALDH1A1 (0.50) MAPTCYP1A2HSD17B10TSHR
Bromide SCHEMBL20424457 0.74 ALDH1A1 (0.48) MAPTCYP1A2HSD17B10TSHR
SCHEMBL31325535 0.74 ALDH1A1 (0.48) MAPTCYP1A2HSD17B10TSHR
SCHEMBL205231 0.73 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL4405355 0.72 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL15094975 0.70 ALDH1A1 (0.43) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL18362599 0.70 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL3833937 0.70 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL643649 0.70 CYP1A2 (0.62) PDE4APDE4BPDE4CPDE4DMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242243-B2 Anion exchange polyelectrolytes GEORGIA TECH RESEARCH CORPORATION (US) 2016-01-26 — — US disclosed
US-20140221509-A1 HIGHLY BASIC IONOMERS AND MEMBRANES AND ANION/HYDROXIDE EXCHANGE FUEL CELLS COMPRISING THE IONOMERS AND MEMBRANES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-07 — — US disclosed
US-8641949-B2 Highly basic ionomers and membranes and anion/hydroxide exchange fuel cells comprising the ionomers and membranes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 — — US disclosed
US-8535586-B2 Highly basic ionomers and membranes and anion/hydroxide exchange fuel cells comprising the ionomers and membranes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-09-17 — — US disclosed
US-20120238648-A1 ANION EXCHANGE POLYELECTROLYTES GEORGIA TECH RESEARCH CORPORATION 2012-09-20 — — US disclosed
US-20120119410-A1 HIGHLY BASIC IONOMERS AND MEMBRANES AND ANION/HYDROXIDE EXCHANGE FUEL CELLS COMPRISING THE IONOMERS AND MEMBRANES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-17 — — US disclosed
US-20110237690-A1 HIGHLY BASIC IONOMERS AND MEMBRANES AND ANION/HYDROXIDE EXCHANGE FUEL CELLS COMPRISING THE IONOMERS AND MEMBRANES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-29 — — US disclosed
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