SCHEMBL23969028

SCHEMBL23969028

N#CC(C#N)=C1c2cc(C#N)c(-c3ccc(OC(F)(F)F)c(F)c3)cc2-c2cc(-c3ccc(OC(F)(F)F)c(F)c3)c(C#N)cc21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.36
EPHX2 P34913 1/20 0.36
XDH P47989 2/20 0.35
CTSK P43235 1/20 0.33
NAAA Q02083 1/20 0.33
AR P10275 5/20 0.32
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
PGR P06401 2/20 0.32
MGAT2 Q10469 1/20 0.32
FAAH O00519 1/20 0.31
SCN9A Q15858 2/20 0.31
RET P07949 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
KDM1A O60341 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
SCHEMBL21917433 1.00 PDE2A (0.36) PDE2AEPHX2XDHCTSKNAAA
SCHEMBL23969073 0.89 PDE2A (0.39) PDE2AEPHX2CTSKNAAAALOX5AP
SCHEMBL21917138 0.88 AR (0.38) XDHARPGR
SCHEMBL12149395 0.86 PDE2A (0.39) PDE2AEPHX2CTSKNAAAALOX5AP
SCHEMBL21917327 0.86
SCHEMBL21917431 0.86 CYP11B1 (0.38) ARPGRCYP11B1CYP11B2
SCHEMBL23969029 0.85 S1PR1 (0.35) XDHARALOX5APFEN1PGR
SCHEMBL21917137 0.84 FFAR1 (0.31)
SCHEMBL23969051 0.83 ALDH1A1 (0.38) XDHARPGRSCN9AKDM1A
SCHEMBL21917294 0.83 ALDH1A1 (0.38) XDHARPGRSCN9AKDM1A

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 PDE2A 4667/4885EPHX2 97/4885XDH 716/4885

“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.