SCHEMBL12181771

SCHEMBL12181771

COc1c(-c2ccccc2)c(OC)c(-c2ccccc2)c(OC)c1-c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.71
PDE4A P27815 5/20 0.71
PDE4C Q08493 5/20 0.71
PDE4D Q08499 5/20 0.71
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CA4 P22748 2/20 0.46
POLB P06746 1/20 0.44
MAPT P10636 3/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
MITF O75030 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL22081628 0.85 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL21384700 0.85 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL5951260 0.84 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL17038908 0.84 PDE4B (0.58) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL12455943 0.83 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL7386229 0.82 PDE4B (0.57) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL24049430 0.80 MGAM (0.56) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL6324941 0.80 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL29094452 0.80 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL9760097 0.79 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2771386-B1 HYPERBRANCHED POLYMERS, METHODS FOR PRODUCING SAME, AND USE OF SAME IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-03-01 EP disclosed
EP-2566875-B1 FORMULATIONS AND ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-01-06 EP disclosed
EP-2517277-B1 COMPOSITION FOR THE PREPARATION OF ORGANIC ELECTRONIC (OE) DEVICES MERCK PATENT GMBH (DE) 2015-07-08 EP disclosed
WO-2011137922-A1 FORMULATIONS AND ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-11-10 WO disclosed