SCHEMBL13636779

SCHEMBL13636779

Fc1cc(/C=C/c2ccc(N(c3ccc(/C=C/c4cc(F)c(C(F)(F)F)c(F)c4)cc3)c3ccc(/C=C/c4cc(F)c(C(F)(F)F)c(F)c4)cc3)cc2)cc(F)c1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.40
AHR P35869 1/20 0.40
APP P05067 2/20 0.39
NFE2L2 Q16236 5/20 0.38
MAT2A P31153 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPT P10636 1/20 0.36
NQO2 P16083 1/20 0.35
TUBB1 Q9H4B7 1/20 0.34

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
SCHEMBL13636752 0.81 TUBB1 (0.50) PTGS1APPNFE2L2MAT2AKCNH2
SCHEMBL13636812 0.81 KIF11 (0.46) AHRAPPNFE2L2MAT2AKCNH2
SCHEMBL13978825 0.78 PTGS1 (0.50) PTGS1AHRAPPNFE2L2NQO2
SCHEMBL13636747 0.77 NFE2L2 (0.62) APPNFE2L2MAT2AKCNH2MAPT
SCHEMBL13636750 0.75 APP (0.50) PTGS1APPNFE2L2NQO2
SCHEMBL13978827 0.75 AHR (0.55) PTGS1AHRNFE2L2NQO2
SCHEMBL13636778 0.73 NFE2L2 (0.49) PTGS1AHRAPPNFE2L2KCNH2
SCHEMBL13639131 0.73 NFE2L2 (0.41) PTGS1APPNFE2L2MAT2AKCNH2
SCHEMBL13978824 0.73 APP (0.49) PTGS1AHRAPPNFE2L2NQO2
SCHEMBL13978808 0.73 NFE2L2 (0.52) PTGS1APPNFE2L2MAT2AKCNH2

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 PTGS1 4105/4885AHR 3421/4885APP 2549/4885

“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.