SCHEMBL4020709

SCHEMBL4020709

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2CCCCCCO

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.51
RORA P35398 4/20 0.51
RORC P51449 4/20 0.51
RORB Q92753 4/20 0.51
HTR1D P28221 1/20 0.42
CNR2 P34972 2/20 0.42
DNMT1 P26358 3/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
PSEN1 P49768 3/20 0.39
PSEN2 P49810 3/20 0.39
APH1B Q8WW43 3/20 0.39
NCSTN Q92542 3/20 0.39
APH1A Q96BI3 3/20 0.39
PSENEN Q9NZ42 3/20 0.39
PTGES2 Q9H7Z7 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38

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
SCHEMBL3667554 0.86 PGR (0.49) PGRRORARORCRORBHTR1D
SCHEMBL22042197 0.85 RORA (0.63) PGRRORARORCRORBHTR1D
SCHEMBL22087154 0.85 RORA (0.63) PGRRORARORCRORBHTR1D
SCHEMBL28331663 0.84 PGR (0.51) PGRRORARORCRORBHTR1D
SCHEMBL38656241 0.84 PGR (0.51) PGRRORARORCRORBHTR1D
SCHEMBL31240166 0.81 RORA (0.49) PGRRORARORCRORBHTR1D
SCHEMBL31240116 0.81 RORA (0.49) PGRRORARORCRORBHTR1D
SCHEMBL31240086 0.79 RORA (0.50) PGRRORARORCRORBHTR1D
SCHEMBL16542086 0.78 RORA (0.55) PGRRORARORCRORBCNR2
SCHEMBL31265080 0.78 PGR (0.46) PGRRORARORCRORBHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11081654-B2 Blue light TADF material, preparation method thereof and electroluminescent device WUHAN CHINA STAR OPTOELECTRONICS SEMICONDUCTOR DISPLAY TECHNOLOGY CO., LTD. (CN) 2021-08-03 US disclosed
US-20200176687-A1 BLUE LIGHT TADF MATERIAL, PREPARTION METHOD THEREOF AND ELECTROLUMINESCENT DEVICE WUHAN CHINA STAR OPTOELECTRONICS SEMICONDUCTOR DISPLAY TECHNOLOGY CO., LTD. (CN) 2020-06-04 US disclosed
WO-2009092671-A2 ORGANIC LIGHT EMITTING SYSTEMS BASF SE (DE) 2009-07-30 WO disclosed