SCHEMBL13636762

SCHEMBL13636762

CC(C)(C)c1cc(/C=C/c2ccc(N(c3ccc(/C=C/c4ccc(F)c(C(C)(C)C)c4)cc3)c3ccc(/C=C/c4ccc(F)c(C(C)(C)C)c4)cc3)cc2)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.49
PTGS2 P35354 2/20 0.49
NFE2L2 Q16236 7/20 0.43
APP P05067 5/20 0.41
MAT2A P31153 1/20 0.39
KCNH2 Q12809 1/20 0.39
NQO2 P16083 1/20 0.35
MAPT P10636 2/20 0.35
RELA Q04206 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
ALPG P10696 1/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL13636757 0.87 PTGS1 (0.45) PTGS1PTGS2NFE2L2APPMAT2A
SCHEMBL13636747 0.78 NFE2L2 (0.62) PTGS2NFE2L2APPMAT2AKCNH2
SCHEMBL13636812 0.75 KIF11 (0.46) NFE2L2APPMAT2AKCNH2NQO2
SCHEMBL13978808 0.74 NFE2L2 (0.52) PTGS1PTGS2NFE2L2APPMAT2A
SCHEMBL13978824 0.74 APP (0.49) PTGS1PTGS2NFE2L2APPNQO2
SCHEMBL13636788 0.73 NFE2L2 (0.43) PTGS1NFE2L2APPMAT2AKCNH2
SCHEMBL13636756 0.73 NFE2L2 (0.47) PTGS1PTGS2NFE2L2APPMAT2A
SCHEMBL25665110 0.73 PTGS1 (0.43) PTGS1PTGS2NFE2L2MAPTMEN1
SCHEMBL13496965 0.73 PTGS2 (0.43) PTGS1PTGS2MEN1ALDH1A1KMT2A
SCHEMBL15681222 0.72 CYP1A2 (0.52) APPMAPTRELAMEN1ALDH1A1

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 12 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
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-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-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
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
WO-2007065547-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 PTGS1 4105/4885PTGS2 3114/4885NFE2L2 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.