SCHEMBL13615682

SCHEMBL13615682

c1ccc(N(c2ccccc2)c2ccc3c(-c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4)c4cc(N(c5ccccc5)c5ccccc5)ccc4c(-c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4)c3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ESR1 P03372 6/20 0.36
ESR2 Q92731 6/20 0.36
ACMSD Q8TDX5 1/20 0.34
ALOX5 P09917 2/20 0.34
PTGES O14684 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
GSTP1 P09211 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL13615639 1.00 ALDH1A1 (0.36) ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL13615724 0.97 ALDH1A1 (0.34) ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL15762764 0.97 PTGES (0.38) ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL13333567 0.97 PTGES (0.38) ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL13615751 0.97 PTGES (0.38) ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL13333941 0.97 PTGES (0.38) ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL14099734 0.97 PTGES (0.38) ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL2325795 0.97 ESR1 (0.39) ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL13615815 0.97 ESR1 (0.35) ALDH1A1CYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL13333484 0.95 ESR1 (0.36) ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4

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 ALDH1A1 818/4885CYP1A2 756/4885CYP2C9 1005/4885

“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.