SCHEMBL15077955

SCHEMBL15077955

Fc1cc(F)c(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP2A6 P11509 1/20 0.46
ESR1 P03372 3/20 0.44
ESR2 Q92731 3/20 0.44
HPRT1 P00492 1/20 0.40
PDE9A O76083 1/20 0.39
IKBKB O14920 1/20 0.38
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
KCNH2 Q12809 1/20 0.37
GSTP1 P09211 1/20 0.37
ALOX5 P09917 2/20 0.37
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CLK1 P49759 1/20 0.35
HSD17B1 P14061 1/20 0.35

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
SCHEMBL15077947 0.87 CYP1A2 (0.46) CYP1A2CYP2A6ESR1ESR2HPRT1
SCHEMBL13811154 0.85 CYP1A2 (0.47) CYP1A2CYP2A6ESR1ESR2DRD2
SCHEMBL13007006 0.84 CYP1A2 (0.43) CYP1A2CYP2A6ESR1ESR2HPRT1
SCHEMBL2964464 0.84 ESR1 (0.50) CYP1A2ESR1ESR2HPRT1PDE9A
SCHEMBL269358 0.84 ESR1 (0.50) CYP1A2ESR1ESR2HPRT1PDE9A
SCHEMBL22993521 0.84 CYP1A2 (0.46) CYP1A2CYP2A6ESR1ESR2DRD2
SCHEMBL13006999 0.84 CYP1A2 (0.46) CYP1A2CYP2A6ESR1ESR2DRD2
SCHEMBL15077937 0.83 CYP1A2 (0.39) CYP1A2CYP2A6ESR1ESR2HPRT1
SCHEMBL22978406 0.83 CYP1A2 (0.48) CYP1A2CYP2A6ESR1ESR2GSTP1
SCHEMBL22992916 0.83 CYP1A2 (0.44) CYP1A2CYP2A6ESR1ESR2HPRT1

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-9515280-B2 Organic light emitting device with enhanced lifespan SAMSUNG DISPLAY CO., LTD. (KR) 2016-12-06 US disclosed
US-9515280-B2 Organic light emitting device with enhanced lifespan SAMSUNG DISPLAY CO., LTD. (KR) 2016-12-06 US disclosed
US-20130161590-A1 ORGANIC LIGHT EMITTING DEVICE WITH ENHANCED LIFESPAN SAMSUNG DISPLAY CO., LTD. (KR) 2013-06-27 US disclosed
US-20130161590-A1 ORGANIC LIGHT EMITTING DEVICE WITH ENHANCED LIFESPAN SAMSUNG DISPLAY CO., LTD. (KR) 2013-06-27 US disclosed