SCHEMBL13636794

SCHEMBL13636794

CC(C)(C)c1ccc(/C=C/c2ccc(N(c3ccc(/C=C/c4ccc(C(C)(C)C)cc4)cc3)c3ccc(/C=C/c4cccc(B5OC(C)(C)C(C)(C)O5)c4)cc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 6/20 0.39
LPL P06858 5/20 0.39
P4HB P07237 1/20 0.37
HIF1A Q16665 1/20 0.36
APP P05067 1/20 0.35
NFE2L2 Q16236 1/20 0.32
CYP1A2 P05177 1/20 0.32
RELA Q04206 1/20 0.31
ASIC1 P78348 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30

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 0.91 LIPG (0.45) LIPGLPLP4HBAPPNFE2L2
SCHEMBL13979251 0.91 P4HB (0.36) LIPGLPLP4HBHIF1A
SCHEMBL13636800 0.89 NFE2L2 (0.42) LIPGLPLP4HBAPPNFE2L2
SCHEMBL13636793 0.86 NFE2L2 (0.42) LIPGLPLP4HBHIF1AAPP
SCHEMBL13636792 0.85 LPL (0.44) LIPGLPLP4HBAPPNFE2L2
SCHEMBL4584279 0.85 LIPG (0.44) LIPGLPLHIF1A
SCHEMBL15583748 0.79 LPL (0.47) LIPGLPLP4HBHIF1A
SCHEMBL14934699 0.79 LPL (0.47) LIPGLPLP4HBHIF1A
SCHEMBL19213278 0.79 P4HB (0.50) LIPGLPLP4HBHIF1ACYP1A2
SCHEMBL13636787 0.77 P4HB (0.51) LIPGLPLP4HBRELA

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 7 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-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 LIPG 1058/4885LPL 684/4885P4HB 1762/4885

“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.