SCHEMBL801378

SCHEMBL801378

CCC(C)COc1ccc(-c2c(C)c3cc(C)ccc3c3ccc(C)cc23)cc1OCC(C)CC

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.34
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
MAPT P10636 3/20 0.32
ALDH1A1 P00352 3/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
MCHR1 Q99705 1/20 0.32
DHODH Q02127 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
SCHEMBL801374 0.94 TLR8 (0.36) TLR8KDM4EPOLBTDP1PDE4A
SCHEMBL13044275 0.93 TLR8 (0.34) TLR8KDM4EPOLBTDP1PDE4A
SCHEMBL13044262 0.88 TLR8 (0.36) TLR8KDM4EPOLBTDP1PDE4A
SCHEMBL14610194 0.86 TLR8 (0.38) TLR8KDM4EPOLBTDP1PDE4A
SCHEMBL801119 0.85 KDM4E (0.33) TLR8KDM4EPOLBTDP1PDE4A
SCHEMBL12664828 0.81 TLR8 (0.35) TLR8KDM4EPOLBTDP1PDE4A
SCHEMBL13044268 0.80 KDM4E (0.33) TLR8KDM4EPOLBTDP1PDE4A
SCHEMBL13607200 0.79 KDM4E (0.47) TLR8KDM4EPOLBTDP1PDE4A
SCHEMBL5147675 0.78 TLR8 (0.45) TLR8KDM4EPOLBPDE4APDE4B
SCHEMBL801248 0.76 PDE4B (0.34) TLR8KDM4EPOLBTDP1PDE4A

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
US-8398895-B2 Conjugated polymers and their use as organic semiconductors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-03-19 US disclosed
US-20120068121-A1 CONJUGATED POLYMERS AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-22 US disclosed
US-7947382-B2 Electroluminescent polymers and the use thereof MERCK PATENT GMBH (DE) 2011-05-24 US disclosed
US-20070205714-A1 Electroluminescent Polymers and the Use Thereof MERCK PATENT GMBH (DE) 2007-09-06 US disclosed