SCHEMBL13656649

SCHEMBL13656649

C(=C(c1ccccc1)c1ccccc1)c1c2ccccc2c(C=C(c2ccccc2)c2ccccc2)c2cc(-c3ccc(-c4ccc5ccccc5c4)s3)ccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.37
HSD17B1 P14061 4/20 0.35
HSD17B2 P37059 4/20 0.35
CYP1A1 P04798 2/20 0.33
CYP1B1 Q16678 2/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
WRN Q14191 1/20 0.33
NQO2 P16083 1/20 0.33
ALOX5 P09917 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
S1PR5 Q9H228 2/20 0.32
S1PR4 O95977 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL13656638 0.99 ERN1 (0.36) ERN1HSD17B1HSD17B2CYP1A1CYP1B1
SCHEMBL13656651 0.89 HSD17B1 (0.45) HSD17B1HSD17B2NQO2MEN1KMT2A
SCHEMBL13656639 0.88 HSD17B1 (0.44) HSD17B1HSD17B2NQO2MEN1KMT2A
SCHEMBL13656653 0.86 CA12 (0.41) HSD17B1HSD17B2CYP1A1CYP1B1NQO2
SCHEMBL13656642 0.85 CA12 (0.40) HSD17B1HSD17B2CYP1A1CYP1B1NQO2
SCHEMBL13656641 0.83 CYP19A1 (0.35) ERN1HSD17B1HSD17B2CYP1A1CYP1B1
SCHEMBL13656643 0.82 CYP19A1 (0.34) ERN1HSD17B1HSD17B2CYP1A1CYP1B1
SCHEMBL13656624 0.81 MAPT (0.34) ERN1HSD17B1HSD17B2CYP1A1CYP1B1
SCHEMBL17928790 0.73
SCHEMBL4404623 0.73 GSTP1 (0.50) HSD17B1HSD17B2ESR1ESR2WRN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501821-B1 NEW ORGANIC COMPOUNDS FOR ELECTROLUMINESCENCE AND ORGANIC ELECTROLUMINESCENT DEVICES USING THE SAME LG CHEMICAL LTD (KR) 2016-07-20 EP disclosed
US-7604874-B2 Organic compounds for electroluminescence and organic electroluminescent devices using the same LG CHEM, LTD. (KR) 2009-10-20 US disclosed
US-7604874-B2 Organic compounds for electroluminescence and organic electroluminescent devices using the same LG CHEM, LTD. (KR) 2009-10-20 US disclosed
US-7485733-B2 Organic compounds for electroluminescence and organic electroluminescent devices using the same LG CHEM, LTD. (KR) 2009-02-03 US disclosed
US-7485733-B2 Organic compounds for electroluminescence and organic electroluminescent devices using the same LG CHEM, LTD. (KR) 2009-02-03 US disclosed
US-20070037012-A1 having an anthracene compound substituted with at least one thiophenyl ring; OLED organic light emitters; as displays with low power consumption, faster response time, higher brightness level, unlimited viewing angle LG CHEM, LTD. (KR) 2007-02-15 US disclosed
US-20070037012-A1 having an anthracene compound substituted with at least one thiophenyl ring; OLED organic light emitters; as displays with low power consumption, faster response time, higher brightness level, unlimited viewing angle LG CHEM, LTD. (KR) 2007-02-15 US disclosed