SCHEMBL13799252

SCHEMBL13799252

CC(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1C(C)C

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.33
CES2 O00748 1/20 0.32
NOTUM Q6P988 1/20 0.31
AR P10275 3/20 0.31
EGLN1 Q9GZT9 2/20 0.31
CACNA1H O95180 2/20 0.31
CACNA1B Q00975 1/20 0.31
CACNA1C Q13936 1/20 0.31
TRPA1 O75762 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
P2RX7 Q99572 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
SCHEMBL20072258 0.89 CES2 (0.38) PDE2ACES2NOTUMAREGLN1
SCHEMBL19507808 0.87 PDE2A (0.37) PDE2ACES2GABRA1GABRG2GABRB3
SCHEMBL16405335 0.82 RAPGEF4 (0.35) PDE2ACES2AREGLN1CACNA1H
SCHEMBL21139479 0.80 PDE2A (0.41) PDE2ACES2AREGLN1CACNA1H
SCHEMBL26938094 0.80 PDE2A (0.34) PDE2ACES2NOTUMAREGLN1
SCHEMBL23547617 0.80 PDE2A (0.37) PDE2ACES2NOTUMAREGLN1
SCHEMBL21139491 0.80 PDE2A (0.44) PDE2AGABRA1GABRG2GABRB3P2RX7
SCHEMBL29316639 0.78 CA1 (0.43) PDE2ACES2NOTUMGABRA1GABRG2
SCHEMBL15934972 0.78 P2RX7 (0.43) PDE2ACES2NOTUMAREGLN1
SCHEMBL24910409 0.76 IKBKB (0.38) PDE2ACES2NOTUMGABRA1GABRG2

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-20090145483-A1 Novel electroluminescent compounds and organic electroluminescent device suing the same GRACEL DISPLAY INC. (KR) 2009-06-11 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-20090145483-A1 Novel electroluminescent compounds and organic electroluminescent device suing the same LEF1, ODC1, AOC2 PDE2A 3564/4885CES2 1255/4885NOTUM 1654/4885

“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.