SCHEMBL23969016

SCHEMBL23969016

N#CC(C#N)=C1c2cc(OC(F)(F)F)c(-c3ccc(-c4ccc(C#N)cc4)cc3)cc2-c2cc(-c3ccc(-c4ccc(C#N)cc4)cc3)c(OC(F)(F)F)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.40
PDK2 Q15119 2/20 0.39
KIF11 P52732 3/20 0.39
TRPA1 O75762 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
FNTB P49356 3/20 0.37
SIGMAR1 Q99720 1/20 0.37
HRH1 P35367 1/20 0.37
PTPN5 P54829 1/20 0.36
MMP3 P08254 1/20 0.35
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34
FNTA P49354 2/20 0.34
PGGT1B P53609 1/20 0.34
CYP11B2 P19099 1/20 0.33
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 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
SCHEMBL21917288 0.99 PTGDR2 (0.41) PTGDR2PDK2KIF11TRPA1SCN5A
SCHEMBL21917697 0.93 PGR (0.35) PTGDR2PDK2KIF11TRPA1SCN5A
SCHEMBL21917690 0.88 ALDH1A1 (0.38) KIF11TRPA1SCN5ASCN9AFNTB
SCHEMBL21917113 0.88 PDE3B (0.37) PDK2ALDH1A1GAAMAPTPKM
SCHEMBL23968957 0.87 PDE3B (0.37) PTGDR2PDK2ALDH1A1GAAMAPT
SCHEMBL23968861 0.87 ALDH1A1 (0.39) KIF11TRPA1SCN5ASCN9AFNTB
SCHEMBL21917319 0.87 PGR (0.31) PTGDR2
SCHEMBL23969000 0.86 RXRA (0.45) PTGDR2KIF11FNTBSIGMAR1HRH1
SCHEMBL23968819 0.86 BACE1 (0.41) PTGDR2KIF11FNTBSIGMAR1HRH1
SCHEMBL21917313 0.85 BACE1 (0.37) PTGDR2SCN9AMAOBALDH1A1GAA

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 PTGDR2 3661/4885PDK2 1589/4885KIF11 2390/4885

“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.