SCHEMBL13636753

SCHEMBL13636753

CCC(C)(C)c1ccc(/C=C/c2ccc(N(c3ccc(/C=C/c4ccc(C(C)(C)CC)cc4)cc3)c3ccc(/C=C/c4ccc(C(C)(C)CC)cc4)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.41
MAPT P10636 5/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
RELA Q04206 1/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
ALPG P10696 1/20 0.38
THRB P10828 1/20 0.38
GFER P55789 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4A O75164 2/20 0.37
KDM2A Q9Y2K7 2/20 0.37
STAT3 P40763 1/20 0.36
CASP1 P29466 2/20 0.36
HBB P68871 2/20 0.36

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
SCHEMBL13460329 0.86 RELA (0.44) APPMAPTRAB9ANPC1RELA
SCHEMBL13636763 0.85 RELA (0.38) APPMAPTRAB9ANPC1RELA
SCHEMBL13081226 0.84 APP (0.40) APPMAPTRAB9ANPC1RELA
SCHEMBL13636759 0.82 RELA (0.39) APPMAPTRAB9ANPC1RELA
SCHEMBL15681222 0.82 CYP1A2 (0.52) APPMAPTRAB9ANPC1RELA
SCHEMBL13636758 0.82 CYP1A2 (0.52) APPMAPTRAB9ANPC1RELA
SCHEMBL12018261 0.82 NPC1 (0.44) APPMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL14625654 0.82 NPC1 (0.44) APPMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12887521 0.82 CYP1A2 (0.52) APPMAPTRAB9ANPC1RELA
SCHEMBL13496414 0.82 RELA (0.40) APPRAB9ANPC1RELASMN1; SMN2

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 12 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
EP-1957603-B1 ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-10-14 EP disclosed
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
WO-2007065549-A1 ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2007-06-14 WO disclosed
WO-2007065547-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 2549/4885MAPT 398/4885RAB9A 1847/4885

“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.