SCHEMBL13636752

SCHEMBL13636752

Fc1cc(/C=C/c2ccc(N(c3ccc(/C=C/c4cc(F)c(F)c(F)c4)cc3)c3ccc(/C=C/c4cc(F)c(F)c(F)c4)cc3)cc2)cc(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.50
APP P05067 1/20 0.44
NFE2L2 Q16236 4/20 0.42
MAT2A P31153 1/20 0.42
KCNH2 Q12809 1/20 0.42
PTGS1 P23219 3/20 0.40
MAPT P10636 2/20 0.39
RELA Q04206 1/20 0.36
NQO2 P16083 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
ALPG P10696 1/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALOX5 P09917 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
SCHEMBL13636747 0.83 NFE2L2 (0.62) TUBB1APPNFE2L2MAT2AKCNH2
SCHEMBL13636779 0.81 PTGS1 (0.40) TUBB1APPNFE2L2MAT2AKCNH2
SCHEMBL13636750 0.81 APP (0.50) APPNFE2L2PTGS1NQO2ALOX5
SCHEMBL13978808 0.79 NFE2L2 (0.52) TUBB1APPNFE2L2MAT2AKCNH2
SCHEMBL13636755 0.78 APP (0.68) APPNFE2L2PTGS1NQO2ALOX5
SCHEMBL13636812 0.76 KIF11 (0.46) APPNFE2L2MAT2AKCNH2MAPT
SCHEMBL13636757 0.74 PTGS1 (0.45) TUBB1APPNFE2L2MAT2AKCNH2
SCHEMBL13636783 0.74 NFE2L2 (0.43) TUBB1APPNFE2L2MAT2AKCNH2
SCHEMBL33523768 0.74 RELA (0.54) APPNFE2L2PTGS1MAPTRELA
SCHEMBL33523767 0.74 RELA (0.54) APPNFE2L2PTGS1MAPTRELA

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-1957605-B1 ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-01-11 EP disclosed
US-8304095-B2 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-11-06 US disclosed
US-8304095-B2 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-11-06 US disclosed
US-20080272693-A1 Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-11-06 US disclosed
US-20080272693-A1 Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-11-06 US disclosed
WO-2007065549-A1 ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2007-06-14 WO 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 TUBB1 560/4885APP 2549/4885NFE2L2 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.