SCHEMBL13428242

SCHEMBL13428242

c1ccc2c(c1)CCCN2c1ccc2c(-c3ccc4ccccc4c3)c3ccc(N4CCCc5ccccc54)cc3c(-c3ccc4ccccc4c3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.39
EED O75530 1/20 0.39
NUDT1 P36639 1/20 0.38
AKT1 P31749 1/20 0.38
PIK3CA P42336 1/20 0.38
OPRM1 P35372 1/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
PTK2 Q05397 1/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 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
SCHEMBL10010049 1.00 ROCK1 (0.39) ROCK1EEDNUDT1AKT1PIK3CA
SCHEMBL13428448 0.96 ROCK1 (0.37) ROCK1EEDNUDT1AKT1PIK3CA
SCHEMBL13428243 0.96 ROCK1 (0.37) ROCK1EEDNUDT1AKT1PIK3CA
SCHEMBL13426577 0.96 ROCK1 (0.37) ROCK1EEDNUDT1AKT1PIK3CA
SCHEMBL13426642 0.96 ROCK1 (0.37) ROCK1EEDNUDT1AKT1PIK3CA
SCHEMBL13428257 0.95 EED (0.36) ROCK1EEDNUDT1AKT1PIK3CA
SCHEMBL13426673 0.95 EED (0.36) ROCK1EEDNUDT1AKT1PIK3CA
SCHEMBL13426526 0.95 EED (0.36) ROCK1EEDNUDT1AKT1PIK3CA
SCHEMBL13426631 0.95 EED (0.36) ROCK1EEDNUDT1AKT1PIK3CA
SCHEMBL13426669 0.95 EED (0.36) ROCK1EEDNUDT1AKT1PIK3CA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100051106-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-03-04 US disclosed
US-20100051106-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-03-04 US disclosed
EP-2141214-A2 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2010-01-06 EP 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-20100051106-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same RPL36, RPL39, RPL36A ROCK1 3925/4885EED 1151/4885NUDT1 655/4885

“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.