SCHEMBL13615751

SCHEMBL13615751

c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(-c5ccc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)cc5)c5cc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)ccc5c(-c5ccc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)cc5)c4c3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.38
ALOX5 P09917 3/20 0.38
ESR1 P03372 8/20 0.37
ESR2 Q92731 8/20 0.37
CYP1A2 P05177 3/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSD17B1 P14061 2/20 0.33
HSD17B2 P37059 2/20 0.33
CYP2B6 P20813 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
TP53 P04637 2/20 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
SCHEMBL14099734 1.00 PTGES (0.38) PTGESALOX5ESR1ESR2CYP1A2
SCHEMBL15762764 1.00 PTGES (0.38) PTGESALOX5ESR1ESR2CYP1A2
SCHEMBL13333567 1.00 PTGES (0.38) PTGESALOX5ESR1ESR2CYP1A2
SCHEMBL13333941 1.00 PTGES (0.38) PTGESALOX5ESR1ESR2CYP1A2
SCHEMBL14489466 0.98 PTGES (0.39) PTGESALOX5ESR1ESR2CYP1A2
SCHEMBL13333898 0.97 ESR1 (0.38) PTGESALOX5ESR1ESR2CYP1A2
SCHEMBL13615639 0.97 ALDH1A1 (0.36) PTGESALOX5ESR1ESR2CYP1A2
SCHEMBL13615682 0.97 ALDH1A1 (0.36) PTGESALOX5ESR1ESR2CYP1A2
SCHEMBL2325795 0.97 ESR1 (0.39) PTGESALOX5ESR1ESR2CYP1A2
SCHEMBL12770704 0.97 PTGES (0.39) PTGESALOX5ESR1ESR2CYP1A2

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 PTGES 2165/4885ALOX5 127/4885ESR1 379/4885

“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.