SCHEMBL13636778

SCHEMBL13636778

Fc1cc(C(F)(F)F)ccc1/C=C/c1ccc(N(c2ccc(/C=C/c3ccc(C(F)(F)F)cc3F)cc2)c2ccc(/C=C/c3ccc(C(F)(F)F)cc3F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 7/20 0.49
AHR P35869 1/20 0.42
PTGS1 P23219 1/20 0.42
NQO2 P16083 1/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
APP P05067 1/20 0.40
BACE1 P56817 1/20 0.39
HDAC1 Q13547 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL13636756 0.86 NFE2L2 (0.47) NFE2L2PTGS1CYP1A1CYP1B1APP
SCHEMBL13978827 0.81 AHR (0.55) NFE2L2AHRPTGS1NQO2CYP1A1
SCHEMBL13636751 0.80 NFE2L2 (0.76) NFE2L2PTGS1APPHTR2AHTR2C
SCHEMBL13636785 0.77 NFE2L2 (0.47) NFE2L2PTGS1CYP1A1CYP1B1APP
SCHEMBL13978825 0.76 PTGS1 (0.50) NFE2L2AHRPTGS1NQO2APP
SCHEMBL14526427 0.76 NFE2L2 (0.66) NFE2L2PTGS1CYP1A1CYP1B1APP
SCHEMBL13978826 0.76 NFE2L2 (0.68) NFE2L2AHRPTGS1NQO2APP
SCHEMBL13636779 0.73 PTGS1 (0.40) NFE2L2AHRPTGS1NQO2APP
SCHEMBL13636795 0.73 AHR (0.47) NFE2L2AHRPTGS1NQO2CYP1A1
SCHEMBL13841271 0.73 CYP1A1 (0.45) NFE2L2CYP1A1CYP1B1BACE1KCNH2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 423/4885AHR 3421/4885PTGS1 4105/4885

“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.