SCHEMBL29801710

SCHEMBL29801710

C(=C(c1ccccc1)c1ccccc1)c1ccccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44
GRIN3A Q8TCU5 2/20 0.44
CYP19A1 P11511 2/20 0.42
CYP11B2 P19099 2/20 0.42
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
BCL2L1 Q07817 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
ESR1 P03372 1/20 0.39
MMP9 P14780 1/20 0.38
BACE1 P56817 2/20 0.38
PTGS2 P35354 1/20 0.37
CYP2A6 P11509 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL828196 1.00 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28304106 0.94 CYP19A1 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL561349 0.89 CYP19A1 (0.47) CYP19A1CYP11B2ALDH1A1HSD17B10TDP1
Bromide SCHEMBL29160890 0.88 CYP19A1 (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL986595 0.87 ALDH1A1 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL44860 0.85 CYP19A1 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27946814 0.83 TAAR1 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4612468 0.82 CYP19A1 (0.52) CYP19A1CYP11B2ALDH1A1TDP1ESR1
SCHEMBL5465937 0.81 GRIN2D (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2545668 0.80 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
EP-3644386-B1 ORGANIC ELECTROLUMINESCENT DEVICE YUNGU GUAN TECH CO LTD (CN) 2022-10-05 EP claimed
US-12193322-B2 Organic light-emitting devices SAMSUNG DISPLAY CO., LTD. (KR) 2025-01-07 US disclosed
CN-115039247-A Organic light-emitting device, light-emitting substrate, and light-emitting apparatus 京东方科技集团股份有限公司 2022-09-09 CN disclosed