SCHEMBL13636781

SCHEMBL13636781

C[Si](C)(C)c1cccc(/C=C/c2ccc(N(c3ccc(/C=C/c4cccc([Si](C)(C)C)c4)cc3)c3ccc(/C=C/c4cccc([Si](C)(C)C)c4)cc3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.46
RELA Q04206 4/20 0.43
NFE2L2 Q16236 5/20 0.39
CYP19A1 P11511 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
RAB9A P51151 1/20 0.37
HBB P68871 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAT2A P31153 1/20 0.37
KCNH2 Q12809 1/20 0.37
TUBB1 Q9H4B7 1/20 0.36

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
SCHEMBL8733095 0.85 NFE2L2 (0.43) APPRELANFE2L2CYP19A1TUBB1
SCHEMBL8733093 0.85 NFE2L2 (0.43) APPRELANFE2L2CYP19A1TUBB1
SCHEMBL8734121 0.85 NFE2L2 (0.44) APPRELANFE2L2CYP19A1MAPT
SCHEMBL8734119 0.85 NFE2L2 (0.44) APPRELANFE2L2CYP19A1MAPT
SCHEMBL13636784 0.84 PTGS1 (0.42) APPRELACYP19A1MAPTMEN1
SCHEMBL8733085 0.83 NFE2L2 (0.50) RELANFE2L2CYP19A1MEN1NPC1
SCHEMBL8733083 0.83 NFE2L2 (0.50) RELANFE2L2CYP19A1MEN1NPC1
SCHEMBL12128429 0.83 RELA (0.41) APPRELAMAPTMEN1NPC1
SCHEMBL9604058 0.81 MAPT (0.44) APPRELAMAPTMEN1NPC1
SCHEMBL10042527 0.79 RELA (0.51) APPRELAMAPTMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957603-B1 ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-10-14 EP disclosed
US-8785001-B2 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-07-22 US disclosed
US-8785001-B2 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-07-22 US disclosed
US-8304095-B2 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-11-06 US disclosed
US-20080297037-A1 Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-12-04 US disclosed
US-20080272693-A1 Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-11-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080272693-A1 Organic Electroluminescent Devices EML4, MT-ND4L, EPCAM APP 2549/4885RELA 2586/4885NFE2L2 423/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.