SCHEMBL13615706

SCHEMBL13615706

CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(-c4ccc(N(c5ccccc5)c5cccc(-c6ccccc6)c5)cc4)c4cc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)ccc4c(-c4ccc(N(c5ccccc5)c5cccc(-c6ccccc6)c5)cc4)c3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
DHODH Q02127 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
HSD17B2 P37059 1/20 0.35
ASIC1 P78348 1/20 0.34
KIF11 P52732 3/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CNR1 P21554 2/20 0.33
SERPINE1 P05121 1/20 0.33
CNR2 P34972 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
GSK3B P49841 1/20 0.33
CYP19A1 P11511 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
CYP2D6 P10635 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
SCHEMBL14515992 0.99 PTGES (0.37) PTGESALOX5DHODHRXRARXRB
SCHEMBL12770708 0.96 PTGES (0.41) PTGESALOX5DHODHRXRARXRB
SCHEMBL1103700 0.93 DHODH (0.38) PTGESALOX5DHODHRXRARXRB
SCHEMBL12928329 0.93 TP53 (0.37) PTGESALOX5KIF11TP53SMN1; SMN2
SCHEMBL13615646 0.93 TP53 (0.37) PTGESALOX5KIF11TP53SMN1; SMN2
SCHEMBL13615686 0.93 TP53 (0.37) PTGESALOX5KIF11TP53SMN1; SMN2
SCHEMBL10304794 0.93 PTGES (0.37) PTGESALOX5HSD17B2KIF11TP53
SCHEMBL9963841 0.92 PTGES (0.40) PTGESALOX5DHODHRXRARXRB
SCHEMBL10304792 0.92 PTGES (0.38) PTGESALOX5HSD17B2KIF11TP53
SCHEMBL9963823 0.91 TP53 (0.39) PTGESALOX5DHODHRXRARXRB

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 127/4885DHODH 1464/4885

“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.