SCHEMBL13636793

SCHEMBL13636793

Cc1ccc(/C=C/c2ccc(N(c3ccc(/C=C/c4ccc(C)cc4)cc3)c3ccc(/C=C/c4cccc(B5OC(C)(C)C(C)(C)O5)c4)cc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.42
LPL P06858 5/20 0.41
LIPG Q9Y5X9 5/20 0.41
P4HB P07237 1/20 0.39
APP P05067 3/20 0.37
RELA Q04206 2/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HIF1A Q16665 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL13636790 0.95 LIPG (0.45) NFE2L2LPLLIPGP4HBAPP
SCHEMBL13636792 0.89 LPL (0.44) NFE2L2LPLLIPGP4HBAPP
SCHEMBL13636794 0.86 LIPG (0.39) NFE2L2LPLLIPGP4HBAPP
SCHEMBL13636800 0.85 NFE2L2 (0.42) NFE2L2LPLLIPGP4HBAPP
SCHEMBL12000718 0.84 LIPG (0.47) LPLLIPGHIF1AIRAK4
SCHEMBL17167121 0.82 NFE2L2 (0.40) NFE2L2APPRELAKDM4EHPGD
SCHEMBL13979251 0.81 P4HB (0.36) LPLLIPGP4HBHPGDHIF1A
SCHEMBL13855293 0.80 P4HB (0.51) LPLLIPGP4HBRELA
SCHEMBL13636787 0.80 P4HB (0.51) LPLLIPGP4HBRELA
SCHEMBL4402172 0.79 NFE2L2 (0.59) NFE2L2APPRELAALOX5PTGS1

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 423/4885LPL 684/4885LIPG 1058/4885

“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.