SCHEMBL13636748

SCHEMBL13636748

CC(C)(C)c1cc(/C=C/c2ccc(N(c3ccc(/C=C/c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc3)c3ccc(/C=C/c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc3)cc2)cc(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.42
MAPT P10636 3/20 0.41
ALOX15 P16050 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGS2 P35354 2/20 0.40
CYP1A2 P05177 1/20 0.39
RELA Q04206 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38

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
SCHEMBL10299915 0.89 CYP1A2 (0.47) PTGS1MAPTALOX15SMN1; SMN2PTGS2
SCHEMBL12887521 0.86 CYP1A2 (0.52) MAPTALOX15SMN1; SMN2MAPK1CYP1A2
SCHEMBL15681222 0.86 CYP1A2 (0.52) MAPTALOX15SMN1; SMN2MAPK1CYP1A2
SCHEMBL13636758 0.86 CYP1A2 (0.52) MAPTALOX15SMN1; SMN2MAPK1CYP1A2
SCHEMBL6573320 0.86 TP53 (0.46) PTGS1MAPTALOX15SMN1; SMN2TP53
SCHEMBL6573201 0.86 TP53 (0.46) PTGS1MAPTALOX15SMN1; SMN2TP53
SCHEMBL6573426 0.86 TP53 (0.46) PTGS1MAPTALOX15SMN1; SMN2TP53
SCHEMBL13979268 0.85 TP53 (0.44) PTGS1MAPTALOX15SMN1; SMN2TP53
SCHEMBL13068320 0.85 CYP24A1 (0.35) PTGS1MAPTALOX15SMN1; SMN2TP53
SCHEMBL13636760 0.84 NFE2L2 (0.50) RELAAPPHDAC8NFE2L2

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 PTGS1 4105/4885MAPT 398/4885ALOX15 3606/4885

“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.