SCHEMBL449262

SCHEMBL449262

C#Cc1ccc2c(c1)C1(c3cc(C#C)ccc3-2)c2cc(C#C)ccc2-c2ccc(C#C)cc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.33
HDAC8 Q9BY41 2/20 0.32
PDE4D Q08499 1/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
CA14 Q9ULX7 2/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
CA4 P22748 1/20 0.31

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
SCHEMBL6006546 0.90 PDK2 (0.41) PDK2CA12CA1CA2CA9
SCHEMBL6007286 0.90 PDK2 (0.41) PDK2CA12CA1CA2CA9
SCHEMBL21344809 0.87 PDE4D (0.33) PDK2PDE4D
SCHEMBL21344814 0.82 EGFR (0.35) PDE4DCA1CA2CA9CYP1B1
SCHEMBL15309162 0.82 HDAC8 (0.32) PDK2HDAC8
SCHEMBL3146501 0.81 MAPT (0.50) PDE4D
SCHEMBL1801063 0.77 BACE1 (0.30)
SCHEMBL31025678 0.76 PDK2 (0.51) PDK2CA12CA1CA2CA9
SCHEMBL13074415 0.76 PDK2 (0.51) PDK2CA12CA1CA2CA9
SCHEMBL3150263 0.75 ESR1 (0.38) PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410185-B2 Porous polymeric materials for hydrogen storage UCHICAGO ARGONNE, LLC (US) 2013-04-02 US claimed
US-20120065289-A1 POROUS POLYMERIC MATERIALS FOR HYDROGEN STORAGE UCHICAGO ARGONNE LLC 2012-03-15 US claimed
US-20090023828-A1 Porous Polymeric materials for Hydrogen storage UCHICAGO ARGONNE LLC 2009-01-22 US claimed
US-9406943-B2 Electrocatalysts using porous polymers and method of preparation UCHICAGO ARGONNE, LLC (US) 2016-08-02 US disclosed
US-20150194681-A1 ELECTROCATALYSTS USING POROUS POLYMERS AND METHOD OF PREPARATION UCHICAGO ARGONNE, LLC (US) 2015-07-09 US disclosed
US-9012344-B2 Electrocatalysts using porous polymers and method of preparation UCHICAGO ARGONNE, LLC (US) 2015-04-21 US disclosed
US-8410185-B2 Porous polymeric materials for hydrogen storage UCHICAGO ARGONNE, LLC (US) 2013-04-02 US disclosed
US-20120065289-A1 POROUS POLYMERIC MATERIALS FOR HYDROGEN STORAGE UCHICAGO ARGONNE LLC 2012-03-15 US disclosed
US-8076382-B2 Porous polymeric materials for hydrogen storage UCHICAGO ARGONNE, LLC (US) 2011-12-13 US disclosed
US-20110281719-A1 ELECTROCATALYSTS USING POROUS POLYMERS AND METHOD OF PREPARATION UCHICAGO ARGONNE, LLC 2011-11-17 US disclosed
US-20090023828-A1 Porous Polymeric materials for Hydrogen storage UCHICAGO ARGONNE LLC 2009-01-22 US disclosed
US-20070107835-A1 ETHYNYL CONTAINING ELECTRON TRANSPORT DYES AND COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY 2007-05-17 US disclosed
US-7192657-B2 Ethynyl containing electron transport dyes and compositions 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-03-20 US disclosed
EP-1613609-A1 ETHYNYL CONTAINING ELECTRON TRANSPORT AGENTS AND THEIR USE IN ORGANIC LUMINESCENT DEVICES 3M Innovative Properties Company (US) 2006-01-11 EP disclosed
WO-2004096783-A1 ETHYNYL CONTAINING ELECTRON TRANSPORT AGENTS AND THEIR USE IN ORGANIC LUMINESCENT DEVICES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-11-11 WO disclosed
US-20040214037-A1 Ethynyl containing electron transport dyes and compositions 3M INNOVATIVE PROPERTIES COMPANY 2004-10-28 US disclosed