SCHEMBL13615686

SCHEMBL13615686

CC(C)(C)c1ccc(N(c2ccc(-c3c4ccc(N(c5ccccc5)c5ccccc5)cc4c(-c4ccc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc4)c4ccc(N(c5ccccc5)c5ccccc5)cc34)cc2)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
CYP2D6 P10635 2/20 0.36
GPR84 Q9NQS5 1/20 0.36
MEN1 O00255 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KIF11 P52732 3/20 0.34

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
SCHEMBL12928329 1.00 TP53 (0.37) TP53SMN1; SMN2PTGESALOX5CYP2D6
SCHEMBL13615646 1.00 TP53 (0.37) TP53SMN1; SMN2PTGESALOX5CYP2D6
SCHEMBL12770708 0.97 PTGES (0.41) TP53SMN1; SMN2PTGESALOX5CYP2D6
SCHEMBL10304794 0.97 PTGES (0.37) TP53SMN1; SMN2PTGESALOX5CYP2D6
SCHEMBL10304792 0.95 PTGES (0.38) TP53SMN1; SMN2PTGESALOX5CYP2D6
SCHEMBL13615656 0.94 TSHR (0.41) TP53SMN1; SMN2PTGESALOX5CYP2D6
SCHEMBL13615816 0.94 KIF11 (0.36) TP53SMN1; SMN2PTGESALOX5GPR84
SCHEMBL13615706 0.93 PTGES (0.39) TP53SMN1; SMN2PTGESALOX5CYP2D6
SCHEMBL13615665 0.93 KIF11 (0.40) TP53SMN1; SMN2PTGESALOX5CYP2D6
SCHEMBL13333465 0.92 GPR84 (0.37) TP53SMN1; SMN2PTGESALOX5CYP2D6

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 TP53 2524/4885SMN1; SMN2 3200/4885PTGES 2165/4885

“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.