SCHEMBL21917697

SCHEMBL21917697

N#CC(C#N)=C1c2cc(OC(F)(F)F)c(-c3ccc(-c4cc(C#N)cc(C#N)c4)cc3)cc2-c2cc(-c3ccc(-c4cc(C#N)cc(C#N)c4)cc3)c(OC(F)(F)F)cc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.35
RXRA P19793 1/20 0.34
RXRG P48443 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
PDK2 Q15119 2/20 0.33
SIGMAR1 Q99720 1/20 0.32
HRH1 P35367 1/20 0.32
FNTB P49356 1/20 0.32
KIF11 P52732 2/20 0.31
TRPA1 O75762 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31
PTPN5 P54829 1/20 0.31
ABL1 P00519 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
SCHEMBL23969016 0.93 PTGDR2 (0.40) PTGDR2PDK2SIGMAR1HRH1FNTB
SCHEMBL21917319 0.92 PGR (0.31) PGRPTGDR2
SCHEMBL21917288 0.91 PTGDR2 (0.41) PTGDR2PDK2SIGMAR1HRH1FNTB
SCHEMBL23969000 0.91 RXRA (0.45) PGRRXRARXRGPTGDR2SIGMAR1
SCHEMBL21917690 0.86 ALDH1A1 (0.38) SIGMAR1HRH1FNTBKIF11TRPA1
SCHEMBL21917113 0.86 PDE3B (0.37) PDK2
SCHEMBL23969017 0.85 KIF11 (0.30) KIF11
SCHEMBL21917696 0.85 RXRA (0.37) RXRARXRGPTGDR2KIF11
SCHEMBL23968957 0.85 PDE3B (0.37) PTGDR2PDK2
SCHEMBL23968861 0.85 ALDH1A1 (0.39) SIGMAR1HRH1FNTBKIF11TRPA1

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-11165025-B2 Compound and organic electronic element comprising same LG CHEM, LTD. 2021-11-02 US disclosed
EP-3363782-B1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2020-03-18 EP 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 PGR 1154/4885RXRA 585/4885RXRG 768/4885

“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.