SCHEMBL13636785

SCHEMBL13636785

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 12/20 0.47
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
APP P05067 2/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
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
MAPT P10636 1/20 0.35
INSR P06213 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
SCHEMBL9604058 0.80 MAPT (0.44) APPPTGS1KCNH2MAT2ARELA
SCHEMBL13636751 0.79 NFE2L2 (0.76) NFE2L2APPPTGS1PTGS2KCNH2
SCHEMBL14526427 0.78 NFE2L2 (0.66) NFE2L2CYP1A1CYP1A2CYP1B1APP
SCHEMBL13636778 0.77 NFE2L2 (0.49) NFE2L2CYP1A1CYP1B1APPPTGS1
SCHEMBL13636756 0.76 NFE2L2 (0.47) NFE2L2CYP1A1CYP1A2CYP1B1APP
SCHEMBL12128483 0.75 MAPT (0.40) CYP1A2APPPTGS1KCNH2MAT2A
SCHEMBL12128520 0.75 MAPT (0.40) CYP1A2APPPTGS1KCNH2MAT2A
SCHEMBL13636784 0.75 PTGS1 (0.42) CYP1A1CYP1A2CYP1B1APPPTGS1
SCHEMBL13636781 0.74 APP (0.46) NFE2L2APPKCNH2MAT2ARELA
SCHEMBL13636783 0.73 NFE2L2 (0.43) NFE2L2APPPTGS1KCNH2MAT2A

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 4 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-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-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 423/4885CYP1A1 3861/4885CYP1A2 2971/4885

“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.