SCHEMBL13639131

SCHEMBL13639131

Cc1ccc(/C=C/c2ccc(N(c3ccc(/C=C/c4ccc(C(F)(F)F)c(F)c4)cc3)c3ccc(/C=C/c4ccc(C(F)(F)F)c(F)c4)cc3)cc2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.41
KIF11 P52732 5/20 0.40
TUBB1 Q9H4B7 2/20 0.39
APP P05067 2/20 0.37
KCNH2 Q12809 2/20 0.35
MAT2A P31153 1/20 0.35
MAPT P10636 1/20 0.34
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL13636812 0.91 KIF11 (0.46) NFE2L2KIF11APPKCNH2MAT2A
SCHEMBL13978808 0.88 NFE2L2 (0.52) NFE2L2TUBB1APPKCNH2MAT2A
SCHEMBL13636757 0.80 PTGS1 (0.45) NFE2L2TUBB1APPKCNH2MAT2A
SCHEMBL13978824 0.78 APP (0.49) NFE2L2KIF11APPPTGS1PTGS2
SCHEMBL13636779 0.73 PTGS1 (0.40) NFE2L2TUBB1APPKCNH2MAT2A
SCHEMBL10015732 0.72 TUBB1 (0.49) NFE2L2TUBB1APPMAPTALOX5
SCHEMBL13978801 0.72 TUBB1 (0.49) NFE2L2TUBB1APPMAPTALOX5
SCHEMBL14569993 0.72 NFE2L2 (0.74) NFE2L2TUBB1ALOX5PTGS1PTGS2
SCHEMBL13463210 0.72 NFE2L2 (0.74) NFE2L2TUBB1ALOX5PTGS1PTGS2
SCHEMBL13636747 0.72 NFE2L2 (0.62) NFE2L2TUBB1APPKCNH2MAT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304095-B2 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-11-06 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 423/4885KIF11 1688/4885TUBB1 560/4885

“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.