SCHEMBL21116342

SCHEMBL21116342

FC(F)(F)c1ccccc1-c1ccc2c3ccc(-c4ccccc4C(F)(F)F)cc3n(-c3cc(-c4ccc(C(F)(F)F)c(-n5c6cc(-c7ccccc7C(F)(F)F)ccc6c6ccc(-c7ccccc7C(F)(F)F)cc65)c4)ccc3C(F)(F)F)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.46
SCN5A Q14524 1/20 0.46
TRPA1 O75762 3/20 0.45
AR P10275 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
BACE1 P56817 1/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
TSHR P16473 3/20 0.40
MAPK1 P28482 3/20 0.40
CYP2C19 P33261 3/20 0.40
USP2 O75604 2/20 0.40
CYP2D6 P10635 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
EPHX2 P34913 1/20 0.39

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
SCHEMBL21116341 0.96 SCN9A (0.43) SCN9ASCN5ATRPA1ARTRPM8
SCHEMBL21116537 0.89 TRPA1 (0.48) SCN9ASCN5ATRPA1ARTRPM8
SCHEMBL21116260 0.88 AR (0.48) SCN9ASCN5ATRPA1ARTRPM8
SCHEMBL21116536 0.88 TRPA1 (0.45) SCN9ASCN5ATRPA1ARTRPM8
SCHEMBL21116556 0.87 LDHA (0.42) SCN9ASCN5AALDH1A1HSD11B1
SCHEMBL21131428 0.86 NR3C1 (0.46) SCN9ASCN5ATRPA1ARTRPM8
SCHEMBL21116490 0.84 AR (0.45) SCN9ASCN5ATRPA1ARNR3C1
SCHEMBL21116905 0.84 AR (0.48) TRPA1ARNR3C1PGRALOX5AP
SCHEMBL21116563 0.83 FEN1 (0.43) SCN9ASCN5ATRPA1CYP1A2CYP3A4
SCHEMBL21116557 0.83 L3MBTL1 (0.40) ALDH1A1

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-11136294-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-10-05 US disclosed
US-20190194130-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-06-27 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 (2 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-20190194130-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, NOX3, ORC3 SCN9A 1279/4885SCN5A 3210/4885TRPA1 2216/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 SCN9A 1406/4885SCN5A 3329/4885TRPA1 2134/4885

“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.