SCHEMBL23968959

SCHEMBL23968959

N#CC(C#N)C1c2cc(OC(F)(F)F)c(-c3ccccc3)cc2-c2cc(-c3ccccc3)c(OC(F)(F)F)cc21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.36
SCN9A Q15858 6/20 0.34
CASR P41180 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CTSA P10619 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
METAP2 P50579 1/20 0.32
FFAR1 O14842 1/20 0.32
TRPA1 O75762 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL23969079 0.82 GRM5 (0.38) SCN9ACTSAFFAR1ALOX5APFEN1
SCHEMBL23968829 0.81
SCHEMBL23968831 0.81 AR (0.36) ARALOX5APFEN1
SCHEMBL23968863 0.80 AR (0.40) ARSCN9A
SCHEMBL23968865 0.79 KDM4E (0.32) CTSAKDM4EMAPTL3MBTL1
SCHEMBL23968844 0.78 TRPA1 (0.31) TRPA1
SCHEMBL23969001 0.77 CYP1A2 (0.35) MAPTTRPA1ALOX5APFEN1
SCHEMBL23968948 0.75 ALDH1A1 (0.37) ARKDM4EL3MBTL1
SCHEMBL21252801 0.74 GPR3 (0.41) SCN9AADORA2AADORA1MAPTTRPA1
SCHEMBL4052387 0.72 CYP19A1 (0.47) ARSCN9AADORA2AADORA1FFAR4

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-11165025-B2 Compound and organic electronic element comprising same LG CHEM, LTD. 2021-11-02 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-11165025-B2 Compound and organic electronic element comprising same OR10J3, ESR1, ETV6 AR 725/4885SCN9A 1458/4885CASR 1877/4885

“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.