SCHEMBL13636750

SCHEMBL13636750

Fc1cc(F)cc(/C=C/c2ccc(N(c3ccc(/C=C/c4cc(F)cc(F)c4)cc3)c3ccc(/C=C/c4cc(F)cc(F)c4)cc3)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.50
CYP17A1 P05093 2/20 0.46
CYP21A2 P08686 2/20 0.46
CYP11B1 P15538 2/20 0.46
NFE2L2 Q16236 5/20 0.45
PTGS1 P23219 4/20 0.45
PTGS2 P35354 2/20 0.44
BACE1 P56817 1/20 0.43
NQO2 P16083 1/20 0.41
ALOX5 P09917 1/20 0.41

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
SCHEMBL13636755 0.84 APP (0.68) APPNFE2L2PTGS1PTGS2NQO2
SCHEMBL11895943 0.83 APP (0.74) APPPTGS1NQO2
SCHEMBL11895944 0.83 APP (0.74) APPPTGS1NQO2
SCHEMBL13636749 0.82 NFE2L2 (0.71) APPNFE2L2PTGS1PTGS2NQO2
SCHEMBL3673867 0.81 NFE2L2 (0.64) APPCYP17A1CYP21A2CYP11B1NFE2L2
SCHEMBL6464939 0.81 NFE2L2 (0.64) APPCYP17A1CYP21A2CYP11B1NFE2L2
SCHEMBL3673865 0.81 NFE2L2 (0.64) APPCYP17A1CYP21A2CYP11B1NFE2L2
SCHEMBL13636752 0.81 TUBB1 (0.50) APPNFE2L2PTGS1PTGS2NQO2
SCHEMBL13992019 0.78 APP (0.61) APPCYP17A1CYP21A2CYP11B1NFE2L2
SCHEMBL13808677 0.78 APP (0.61) APPCYP17A1CYP21A2CYP11B1NFE2L2

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 6 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
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-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

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 APP 2549/4885CYP17A1 3819/4885CYP21A2 4661/4885

“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.