SCHEMBL6675573

SCHEMBL6675573

Brc1ccc(/C(=C/c2ccc(-c3ccc(/C=C(\c4ccccc4)c4ccc(Br)cc4)cc3)cc2)c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.53
CYP19A1 P11511 2/20 0.52
CYP11B2 P19099 2/20 0.52
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 1/20 0.50
PTGS2 P35354 4/20 0.49
ESR2 Q92731 1/20 0.48
TP53 P04637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
CYP1B1 Q16678 1/20 0.42

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
SCHEMBL6675575 1.00 ESR1 (0.53) ESR1CYP19A1CYP11B2ALDH1A1MAPK1
SCHEMBL15607138 0.98 CYP19A1 (0.53) ESR1CYP19A1CYP11B2ALDH1A1MAPK1
SCHEMBL19660691 0.96 ALDH1A1 (0.56) ESR1CYP19A1CYP11B2ALDH1A1MAPK1
SCHEMBL6517636 0.94 ESR1 (0.59) ESR1CYP19A1CYP11B2ALDH1A1PTGS2
SCHEMBL6517631 0.94 ESR1 (0.59) ESR1CYP19A1CYP11B2ALDH1A1PTGS2
SCHEMBL1652775 0.92 CYP19A1 (0.59) ESR1CYP19A1CYP11B2ALDH1A1PTGS2
SCHEMBL987335 0.90 ESR1 (0.64) ESR1CYP19A1CYP11B2PTGS2ESR2
SCHEMBL14928213 0.90 ESR1 (0.64) ESR1CYP19A1CYP11B2PTGS2ESR2
SCHEMBL27846554 0.90 ESR1 (0.64) ESR1CYP19A1CYP11B2PTGS2ESR2
SCHEMBL27818565 0.88 ESR1 (0.67) ESR1CYP19A1CYP11B2ALDH1A1PTGS2

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
EP-1205526-B1 Polymeric fluorescent substance and polymer light-emitting device using the same SUMITOMO CHEMICAL CO (JP) 2004-09-29 EP disclosed
US-6444334-B1 ARYLENE VINYLENE AND FLUORENE RING POLYMER ORGANIC CHARGE TRANSPORT MATERIALS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-09-03 US disclosed
US-20020058157-A1 Polymeric fluorescent substance and polymer light-emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED 2002-05-16 US disclosed
EP-1205526-A1 Polymeric fluorescent substance and polymer light-emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-05-15 EP disclosed