SCHEMBL5501709

SCHEMBL5501709

CCCC1(CCC)c2ccccc2-c2cccc(-c3ccc4c(c3)C3(c5cc(-c6cccc7c6C(CCC)(CCC)c6ccccc6-7)ccc5-4)c4cc(-c5cccc6c5C(CCC)(CCC)c5ccccc5-6)ccc4-c4ccc(-c5cccc6c5C(CCC)(CCC)c5ccccc5-6)cc43)c21

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 17/20 0.37
PGR P06401 2/20 0.36
APEX1 P27695 1/20 0.34

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
SCHEMBL5498044 0.89 PDK2 (0.37) PDK2APEX1
SCHEMBL5663195 0.86 APEX1 (0.40) PDK2PGRAPEX1
SCHEMBL5664720 0.86 APEX1 (0.40) PDK2PGRAPEX1
SCHEMBL9781136 0.84 PGR (0.44) PDK2PGRAPEX1
SCHEMBL3939720 0.81 PDK2 (0.36) PDK2APEX1
SCHEMBL9781137 0.81 APEX1 (0.43) PDK2PGRAPEX1
SCHEMBL27968523 0.80 PDK2 (0.39) PDK2PGR
SCHEMBL17102126 0.77 PDK2 (0.42) PDK2
SCHEMBL31409760 0.77 PDK2 (0.42) PDK2
SCHEMBL3931645 0.77 APEX1 (0.37) PDK2PGRAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425168-A4 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS UNIV ROCHESTER (US) 2007-01-03 EP disclosed
US-7057009-B2 Crosslinking polyfluorene; molecular orientation UNIVERSITY OF ROCHESTER (US) 2006-06-06 US disclosed
EP-1425168-A2 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS University of Rochester (US) 2004-06-09 EP disclosed
US-20030039838-A1 Light-emitting organic oligomer compositions UNIVERSITY OF ROCHESTER 2003-02-27 US disclosed
WO-2003008475-A2 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS UNIVERSITY OF ROCHESTER (US) 2003-01-30 WO disclosed