SCHEMBL13629871

SCHEMBL13629871

C=C(C)c1ccc(N(c2ccc(C(F)(F)F)cc2)c2ccc3c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4cc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(F)(F)F)cc5)ccc4c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.35
PTGES O14684 1/20 0.35
TRPV1 Q8NER1 2/20 0.33
BACE1 P56817 1/20 0.33
KIF11 P52732 2/20 0.33
KDM1A O60341 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MAPK1 P28482 1/20 0.31
MAP2K4 P45985 1/20 0.31
MAPK6 Q16659 1/20 0.31
MAPKAPK5 Q8IW41 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
PTGS2 P35354 1/20 0.31
GPR84 Q9NQS5 1/20 0.30

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
SCHEMBL13711341 0.97 PTGES (0.34) ALOX5PTGESTRPV1BACE1KIF11
SCHEMBL13615665 0.90 KIF11 (0.40) ALOX5PTGESTRPV1BACE1KIF11
SCHEMBL13615686 0.84 TP53 (0.37) ALOX5PTGESKIF11NR1H4HDAC6
SCHEMBL12928329 0.84 TP53 (0.37) ALOX5PTGESKIF11NR1H4HDAC6
SCHEMBL13615646 0.84 TP53 (0.37) ALOX5PTGESKIF11NR1H4HDAC6
SCHEMBL10112348 0.83 KIF11 (0.44) ALOX5BACE1KIF11KDM1ASMN1; SMN2
SCHEMBL13615656 0.81 TSHR (0.41) ALOX5PTGESKIF11TP53SMN1; SMN2
SCHEMBL12770708 0.81 PTGES (0.41) ALOX5PTGESKIF11TP53SMN1; SMN2
SCHEMBL10304794 0.81 PTGES (0.37) ALOX5PTGESKIF11NR1H4TP53
SCHEMBL10304792 0.80 PTGES (0.38) ALOX5PTGESKIF11NR1H4TP53

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 1 patent. 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

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 ALOX5 127/4885PTGES 2165/4885TRPV1 434/4885

“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.