SCHEMBL13427601

SCHEMBL13427601

CN1c2ccccc2N(c2ccc3c(-c4ccc5cc(-c6ccccc6)ccc5c4)c4cc(N5c6ccccc6N(C)c6ccccc65)ccc4c(-c4ccc5ccccc5c4)c3c2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.41
ESR1 P03372 4/20 0.36
ESR2 Q92731 4/20 0.36
HSD17B1 P14061 2/20 0.35
HSD17B2 P37059 2/20 0.35
HSP90AA1 P07900 1/20 0.34
PDE6D O43924 1/20 0.34
CYP17A1 P05093 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
NR3C1 P04150 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
HTR3A P46098 1/20 0.33
ALOX5 P09917 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
SCHEMBL13427597 0.97 AKT1 (0.41) AKT1ESR1ESR2HSD17B1HSD17B2
SCHEMBL13427586 0.97 AKT1 (0.41) AKT1ESR1ESR2HSD17B1HSD17B2
SCHEMBL13427580 0.97 AKT1 (0.41) AKT1ESR1ESR2HSD17B1HSD17B2
SCHEMBL13008763 0.96 ESR1 (0.39) AKT1ESR1ESR2HSD17B1HSD17B2
SCHEMBL13427570 0.96 AKT1 (0.42) AKT1ESR1ESR2HSD17B1HSD17B2
SCHEMBL13427560 0.96 AKT1 (0.42) AKT1ESR1ESR2HSD17B1HSD17B2
SCHEMBL13008378 0.96 AKT1 (0.44) AKT1ESR1ESR2HSD17B1HSD17B2
SCHEMBL13427576 0.95 AKT1 (0.40) AKT1ESR1ESR2HSD17B1HSD17B2
SCHEMBL13427565 0.95 AKT1 (0.41) AKT1ESR1ESR2HSD17B1HSD17B2
SCHEMBL13427588 0.95 AKT1 (0.41) AKT1ESR1ESR2HSD17B1HSD17B2

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 3459/4885ESR1 612/4885ESR2 171/4885

“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.