SCHEMBL13615815

SCHEMBL13615815

c1ccc2cc(N(c3ccc(-c4c5ccc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)cc5c(-c5ccc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)cc5)c5cc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)ccc45)cc3)c3ccc4ccccc4c3)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.35
ESR2 Q92731 5/20 0.35
GSTP1 P09211 1/20 0.35
ALOX5 P09917 2/20 0.34
NPSR1 Q6W5P4 2/20 0.33
CYP1A2 P05177 2/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
ACHE P22303 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
INSR P06213 1/20 0.33
IGF1R P08069 1/20 0.33
PTGES O14684 1/20 0.33
HTT P42858 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
SCHEMBL13615682 0.97 ALDH1A1 (0.36) ESR1ESR2GSTP1ALOX5NPSR1
SCHEMBL13615639 0.97 ALDH1A1 (0.36) ESR1ESR2GSTP1ALOX5NPSR1
SCHEMBL14489466 0.95 PTGES (0.39) ESR1ESR2GSTP1ALOX5CYP1A2
SCHEMBL13333567 0.94 PTGES (0.38) ESR1ESR2ALOX5CYP1A2HSD17B1
SCHEMBL13615724 0.94 ALDH1A1 (0.34) ESR1ESR2GSTP1ALOX5CYP1A2
SCHEMBL15762764 0.94 PTGES (0.38) ESR1ESR2ALOX5CYP1A2HSD17B1
SCHEMBL13615751 0.94 PTGES (0.38) ESR1ESR2ALOX5CYP1A2HSD17B1
SCHEMBL14099734 0.94 PTGES (0.38) ESR1ESR2ALOX5CYP1A2HSD17B1
SCHEMBL13333941 0.94 PTGES (0.38) ESR1ESR2ALOX5CYP1A2HSD17B1
SCHEMBL12770704 0.93 PTGES (0.39) ESR1ESR2GSTP1ALOX5CYP1A2

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-20090273277-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-11-05 US disclosed
US-20090273277-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-11-05 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-20090273277-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, ORMDL3, CHRM2 ESR1 379/4885ESR2 551/4885GSTP1 3178/4885

“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.