SCHEMBL21370682

SCHEMBL21370682

Cc1cc(Br)ccc1-c1ccc2c(c1)C(C)(C)c1cc(-c3ccc(Br)cc3C)ccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.39
ESR2 Q92731 2/20 0.36
ESR1 P03372 1/20 0.36
PGR P06401 3/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
S100A4 P26447 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
HTR2B P41595 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
APP P05067 1/20 0.31
TDP2 O95551 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL13911517 0.87 PDK2 (0.51) PDK2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1649907 0.85 PDK2 (0.40) PDK2PGRALDH1A1NPC1RAB9A
SCHEMBL1648023 0.85 PDK2 (0.40) PDK2PGRALDH1A1NPC1RAB9A
SCHEMBL14508381 0.85 PDK2 (0.40) PDK2PGRALDH1A1NPC1RAB9A
SCHEMBL14508377 0.83 PDK2 (0.39) PDK2PGRALDH1A1S100A4TDP2
SCHEMBL824163 0.81 TDP2 (0.40) PDK2PGRALDH1A1NPC1RAB9A
SCHEMBL29721570 0.81 TDP2 (0.40) PDK2PGRALDH1A1NPC1RAB9A
SCHEMBL824234 0.81 TDP2 (0.42) PDK2PGRALDH1A1NPC1RAB9A
SCHEMBL13911507 0.81 PDK2 (0.44) PDK2PGRALDH1A1NPC1RAB9A
SCHEMBL204806 0.80 PDK2 (0.44) PDK2PGRS100A4HTR2BSIGMAR1

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-11943997-B2 Polymer, composition for organic electroluminescent element, organic electroluminescent element, organic EL display device, organic EL lighting, and manufacturing method for organic electroluminescent element MITSUBISHI CHEMICAL CORPORATION (JP) 2024-03-26 US disclosed
US-11943997-B2 Polymer, composition for organic electroluminescent element, organic electroluminescent element, organic EL display device, organic EL lighting, and manufacturing method for organic electroluminescent element MITSUBISHI CHEMICAL CORPORATION (JP) 2024-03-26 US disclosed
EP-3766918-A1 POLYMER, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY DEVICE, ORGANIC EL LIGHTING, AND MANUFACTURING METHOD FOR ORGANIC ELECTROLUMINESCENT ELEMENT Mitsubishi Chemical Corporation (JP) 2021-01-20 EP disclosed
WO-2019177175-A1 POLYMER, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY DEVICE, ORGANIC EL LIGHTING, AND MANUFACTURING METHOD FOR ORGANIC ELECTROLUMINESCENT ELEMENT 三菱ケミカル株式会社 2019-09-19 WO disclosed