SCHEMBL13428376

SCHEMBL13428376

CN1c2ccccc2N(c2cccc3c(-c4ccc5ccccc5c4)c4c(N5c6ccccc6N(C)c6ccccc65)cccc4c(-c4ccc5ccccc5c4)c23)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.45
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
IKBKB O14920 1/20 0.35
PDE6D O43924 1/20 0.34
CNR2 P34972 1/20 0.34
PTGER3 P43115 1/20 0.34
GSTP1 P09211 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PDE9A O76083 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
UTS2R Q9UKP6 2/20 0.33
PIK3CD O00329 1/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
HCK P08631 1/20 0.33

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
SCHEMBL13428367 0.83 TERT (0.36) PDE6DESR1ESR2MEN1KMT2A
SCHEMBL13428355 0.82 MAPT (0.38) AKT1HSD17B1HSD17B2IKBKBPTGER3
SCHEMBL13428350 0.82 SMN1; SMN2 (0.36) HSD17B1HSD17B2IKBKBGSTP1CYP11B1
SCHEMBL13428333 0.82 CYP3A4 (0.36) AKT1HSD17B1HSD17B2IKBKBPDE6D
SCHEMBL13428343 0.82 BCHE (0.42) HSD17B1HSD17B2GSTP1PDE9AESR1
SCHEMBL13008476 0.78 POLB (0.42) AKT1PDE6DMEN1KMT2A
SCHEMBL13008378 0.76 AKT1 (0.44) AKT1HSD17B1HSD17B2IKBKBPTGER3
SCHEMBL13427565 0.76 AKT1 (0.41) AKT1HSD17B1HSD17B2IKBKBPDE6D
SCHEMBL13427588 0.76 AKT1 (0.41) AKT1HSD17B1HSD17B2IKBKBPDE6D
SCHEMBL13427570 0.74 AKT1 (0.42) AKT1HSD17B1HSD17B2IKBKBPDE6D

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 2 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

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 AKT1 3459/4885HSD17B1 3663/4885HSD17B2 3335/4885

“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.