SCHEMBL13636760

SCHEMBL13636760

CC(C)(C)c1cccc(/C=C/c2ccc(N(c3ccc(/C=C/c4cccc(C(C)(C)C)c4)cc3)c3ccc(/C=C/c4cccc(C(C)(C)C)c4)cc3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.50
APP P05067 3/20 0.46
RELA Q04206 3/20 0.43
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
CYP26B1 Q9NR63 2/20 0.38
CYP26A1 O43174 1/20 0.38
CYP19A1 P11511 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
MAT2A P31153 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL15447625 0.95 RELA (0.47) NFE2L2APPRELACHRNB2CHRNB4
SCHEMBL13636748 0.84 PTGS1 (0.42) NFE2L2APPRELAHDAC8
SCHEMBL29446271 0.83 NFE2L2 (0.53) NFE2L2RELACYP26B1CYP26A1CYP19A1
SCHEMBL7545111 0.83 NFE2L2 (0.53) NFE2L2RELACYP26B1CYP26A1CYP19A1
SCHEMBL7545113 0.83 NFE2L2 (0.53) NFE2L2RELACYP26B1CYP26A1CYP19A1
SCHEMBL13978826 0.83 NFE2L2 (0.68) NFE2L2APPCHRNB2CHRNB4CHRNA3
SCHEMBL13636758 0.81 CYP1A2 (0.52) APPRELATRPV1
SCHEMBL15681222 0.81 CYP1A2 (0.52) APPRELATRPV1
SCHEMBL12887521 0.81 CYP1A2 (0.52) APPRELATRPV1
SCHEMBL12949720 0.81 RELA (0.53) NFE2L2APPRELACYP19A1TRPV1

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 NFE2L2 423/4885APP 2549/4885RELA 2586/4885

“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.