SCHEMBL13636758

SCHEMBL13636758

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
RELA Q04206 1/20 0.42
TSHR P16473 1/20 0.41
APP P05067 4/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
HBB P68871 1/20 0.39
LMNA P02545 4/20 0.39
TYR P14679 1/20 0.39
GRIN2D O15399 2/20 0.39

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
SCHEMBL12887521 1.00 CYP1A2 (0.52) CYP1A2RELATSHRAPPNR1H2
SCHEMBL15681222 1.00 CYP1A2 (0.52) CYP1A2RELATSHRAPPNR1H2
SCHEMBL10299915 0.94 CYP1A2 (0.47) CYP1A2RELATSHRAPPNR1H2
SCHEMBL13358460 0.94 CYP1A2 (0.47) CYP1A2RELATSHRAPPNR1H2
SCHEMBL23430058 0.92 RELA (0.50) CYP1A2RELAAPPNR1H2NR1H3
SCHEMBL13636796 0.92 TSHR (0.56) CYP1A2RELATSHRNR1H2NR1H3
SCHEMBL12292307 0.92 RELA (0.50) CYP1A2RELAAPPNR1H2NR1H3
SCHEMBL13636804 0.92 TSHR (0.56) CYP1A2RELATSHRNR1H2NR1H3
SCHEMBL9604060 0.92 TSHR (0.56) CYP1A2RELATSHRNR1H2NR1H3
SCHEMBL13027888 0.92 RELA (0.50) CYP1A2RELAAPPNR1H2NR1H3

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 11 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-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 CYP1A2 2971/4885RELA 2586/4885TSHR 4679/4885

“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.