SCHEMBL23969089

SCHEMBL23969089

N#CN=C1c2cc(C#N)c(OC(F)(F)F)cc2-c2cc(OC(F)(F)F)c(C#N)cc21

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
SLC22A12 Q96S37 3/20 0.33
BCAT2 O15382 1/20 0.32
BCAT1 P54687 1/20 0.32
AR P10275 4/20 0.31
IDH1 O75874 1/20 0.31
PGR P06401 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
SCHEMBL23968930 1.00 KCNJ1 (0.36) KCNJ1KCNH2SLC22A12BCAT2BCAT1
SCHEMBL23968834 0.89
SCHEMBL23968952 0.81 CTSS (0.33)
SCHEMBL21917432 0.81 CTSS (0.33)
SCHEMBL21917269 0.77 USP8 (0.41)
SCHEMBL23968953 0.76 AR (0.41) ARPGR
SCHEMBL21917670 0.75 KCNJ1 (0.34) KCNJ1KCNH2SLC22A12BCAT2BCAT1
SCHEMBL21917087 0.75 KCNJ1 (0.34) KCNJ1KCNH2SLC22A12BCAT2BCAT1
SCHEMBL23968833 0.72 KCNJ1 (0.40) KCNJ1KCNH2SLC22A12BCAT2BCAT1
SCHEMBL23968931 0.72

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 KCNJ1 189/4885KCNH2 199/4885SLC22A12 887/4885

“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.