SCHEMBL13636756

SCHEMBL13636756

CC(C)(C)c1ccc(/C=C/c2ccc(N(c3ccc(/C=C/c4ccc(C(C)(C)C)cc4F)cc3)c3ccc(/C=C/c4ccc(C(C)(C)C)cc4F)cc3)cc2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 10/20 0.47
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
APP P05067 2/20 0.38
KCNH2 Q12809 2/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
MAT2A P31153 1/20 0.36
RELA Q04206 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
KDM1A O60341 1/20 0.35

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
SCHEMBL13636778 0.86 NFE2L2 (0.49) NFE2L2PTGS1CYP1A1CYP1B1APP
SCHEMBL12887521 0.80 CYP1A2 (0.52) CYP1A2APPRELANR1H2NR1H3
SCHEMBL13636758 0.80 CYP1A2 (0.52) CYP1A2APPRELANR1H2NR1H3
SCHEMBL15681222 0.80 CYP1A2 (0.52) CYP1A2APPRELANR1H2NR1H3
SCHEMBL13636751 0.79 NFE2L2 (0.76) NFE2L2PTGS1PTGS2APPKCNH2
SCHEMBL10299915 0.79 CYP1A2 (0.47) PTGS1PTGS2CYP1A2APPRELA
SCHEMBL14526427 0.78 NFE2L2 (0.66) NFE2L2PTGS1PTGS2CYP1A2CYP1A1
SCHEMBL13636785 0.76 NFE2L2 (0.47) NFE2L2PTGS1PTGS2CYP1A2CYP1A1
SCHEMBL13636795 0.76 AHR (0.47) NFE2L2PTGS1CYP1A2CYP1A1CYP1B1
SCHEMBL13636748 0.75 PTGS1 (0.42) NFE2L2PTGS1PTGS2CYP1A2APP

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 423/4885PTGS1 4105/4885PTGS2 3114/4885

“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.