SCHEMBL4586005

SCHEMBL4586005

C(=Cc1ccccc1N(c1ccccc1C=Cc1ccccc1)c1ccccc1C=Cc1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.54
TRPA1 O75762 2/20 0.54
MAOB P27338 2/20 0.44
RELA Q04206 1/20 0.43
CYP19A1 P11511 1/20 0.43
MAOA P21397 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CHAT P28329 2/20 0.40
DPYD Q12882 1/20 0.39
APP P05067 1/20 0.39

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
SCHEMBL6405637 0.90 NFE2L2 (0.48) NFE2L2TRPA1MAOBRELACYP19A1
SCHEMBL6031700 0.90 NFE2L2 (0.48) NFE2L2TRPA1MAOBRELACYP19A1
SCHEMBL1861624 0.90 NFE2L2 (0.48) NFE2L2TRPA1MAOBRELACYP19A1
SCHEMBL14196540 0.89 NFE2L2 (0.44) NFE2L2TRPA1MAOBRELACYP19A1
SCHEMBL22711285 0.86 RELA (0.50) NFE2L2TRPA1MAOBRELACYP19A1
SCHEMBL21647821 0.86 RELA (0.50) NFE2L2TRPA1MAOBRELACYP19A1
SCHEMBL27661663 0.86 RELA (0.50) NFE2L2TRPA1MAOBRELACYP19A1
SCHEMBL3201261 0.84 CYP2A6 (0.43) NFE2L2TRPA1MEN1KMT2AAPP
SCHEMBL14196537 0.83 NFE2L2 (0.43) NFE2L2TRPA1MAOBRELACYP19A1
SCHEMBL14196554 0.83 NFE2L2 (0.43) NFE2L2TRPA1MAOBRELACYP19A1

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 10 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-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
EP-1957605-A1 ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2008-08-20 EP disclosed
EP-1957603-A1 ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2008-08-20 EP 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 423/4885TRPA1 342/4885MAOB 344/4885

“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.