SCHEMBL23969000

SCHEMBL23969000

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.45
RXRG P48443 3/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.38
KIF11 P52732 1/20 0.35
RXRB P28702 2/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
XDH P47989 1/20 0.32
PGR P06401 1/20 0.32
NAAA Q02083 1/20 0.32
BACE1 P56817 2/20 0.32
APP P05067 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
HRH1 P35367 1/20 0.31
FNTB P49356 1/20 0.31
P2RY14 Q15391 1/20 0.31
HK1 P19367 1/20 0.31
HK2 P52789 1/20 0.31
TMPRSS4 Q9NRS4 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
SCHEMBL21917696 0.93 RXRA (0.37) RXRARXRGPTGDR2KIF11RXRB
SCHEMBL21917697 0.91 PGR (0.35) RXRARXRGPTGDR2KIF11PGR
SCHEMBL23969016 0.86 PTGDR2 (0.40) PTGDR2KIF11MAPTSIGMAR1HRH1
SCHEMBL23968853 0.86 KDM4E (0.36) PTGDR2KDM4EMAPTL3MBTL1
SCHEMBL23968819 0.85 BACE1 (0.41) PTGDR2KIF11KDM4EMAPTL3MBTL1
SCHEMBL21917288 0.85 PTGDR2 (0.41) PTGDR2KIF11MAPTSIGMAR1HRH1
SCHEMBL21917319 0.84 PGR (0.31) PTGDR2PGR
SCHEMBL21917113 0.81 PDE3B (0.37) MAPT
SCHEMBL21917690 0.81 ALDH1A1 (0.38) KIF11MAPTSIGMAR1HRH1FNTB
SCHEMBL23969017 0.80 KIF11 (0.30) KIF11

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 RXRA 585/4885RXRG 768/4885PTGDR2 3661/4885

“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.