SCHEMBL7654479

SCHEMBL7654479

c1ccc(-c2ccc(-c3c4cc5ccccc5cc4c(-c4ccc(-c5ccccc5)cc4)c4cc5c(ccc6ccccc65)cc34)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
HSD17B10 Q99714 3/20 0.59
HIF1A Q16665 1/20 0.59
CYP1B1 Q16678 1/20 0.59
ESR1 P03372 11/20 0.51
ESR2 Q92731 9/20 0.51
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.46
CYP2A6 P11509 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPRT1 P00492 1/20 0.41
ALOX5 P09917 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
SOS1 Q07889 1/20 0.40

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
SCHEMBL7654046 0.96 ALDH1A1 (0.64) ALDH1A1HSD17B10HIF1ACYP1B1ESR1
SCHEMBL7653304 0.89 ALDH1A1 (0.55) ALDH1A1HSD17B10HIF1ACYP1B1ESR1
SCHEMBL29512054 0.86 ESR1 (0.59) ALDH1A1HSD17B10HIF1AESR1ESR2
SCHEMBL16814671 0.86 ESR1 (0.59) ALDH1A1HSD17B10HIF1AESR1ESR2
SCHEMBL7652467 0.85 ALDH1A1 (0.50) ALDH1A1HSD17B10HIF1ACYP1B1ESR1
SCHEMBL18880010 0.85 ALDH1A1 (0.52) ALDH1A1HSD17B10HIF1ACYP1B1ESR1
SCHEMBL19810099 0.84 ESR1 (0.61) ALDH1A1HSD17B10HIF1ACYP1B1ESR1
SCHEMBL11152324 0.83 ALDH1A1 (0.61) ALDH1A1HSD17B10HIF1ACYP1B1ESR1
SCHEMBL18880009 0.83 ESR1 (0.51) ALDH1A1HSD17B10HIF1ACYP1B1ESR1
SCHEMBL2848482 0.82 ALDH1A1 (0.54) ALDH1A1HSD17B10HIF1ACYP1B1ESR1

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-6489046-B1 CONTAINING SUCH AS 8,15-DIPHENYL OR A 8,15-BIS(BIPHENYL)-BENZO(A)PENTACENE; EMITS HIGH PURITY REDDISH LIGHT; EFFICIENT, LONG LIFE; PLANAR LIGHT EMITTING MEMBER FOR TELEVISIONS; BACK LIGHT FOR DISPLAYS IDEMITSU KOSAN CO., LTD. (JP) 2002-12-03 US claimed
US-6489046-B1 CONTAINING SUCH AS 8,15-DIPHENYL OR A 8,15-BIS(BIPHENYL)-BENZO(A)PENTACENE; EMITS HIGH PURITY REDDISH LIGHT; EFFICIENT, LONG LIFE; PLANAR LIGHT EMITTING MEMBER FOR TELEVISIONS; BACK LIGHT FOR DISPLAYS IDEMITSU KOSAN CO., LTD. (JP) 2002-12-03 US disclosed
EP-1138744-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Idemitsu Kosan Co., Ltd. (JP) 2001-10-04 EP disclosed