SCHEMBL23968833

SCHEMBL23968833

N#Cc1cc2c(cc1OC(F)(F)F)Cc1cc(OC(F)(F)F)c(C#N)cc1-2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 1/20 0.40
SLC22A12 Q96S37 3/20 0.35
AR P10275 8/20 0.33
PGR P06401 1/20 0.33
IDH1 O75874 1/20 0.32
CHEK1 O14757 1/20 0.32
BCAT2 O15382 1/20 0.32
BCAT1 P54687 1/20 0.32
GRM2 Q14416 1/20 0.31
MBOAT4 Q96T53 1/20 0.30
S1PR1 P21453 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
SCHEMBL21917087 0.76 KCNJ1 (0.34) KCNJ1KCNH2SLC22A12ARPGR
SCHEMBL21917670 0.76 KCNJ1 (0.34) KCNJ1KCNH2SLC22A12ARPGR
SCHEMBL23969069 0.74 NAAA (0.36) KCNJ1KCNH2ARPGRGRM2
SCHEMBL23968973 0.72 USP8 (0.39)
SCHEMBL23969089 0.72 KCNJ1 (0.36) KCNJ1KCNH2SLC22A12ARPGR
SCHEMBL23968930 0.72 KCNJ1 (0.36) KCNJ1KCNH2SLC22A12ARPGR
SCHEMBL23969068 0.72 KDM1A (0.39) ARPGRCHEK1
SCHEMBL28947751 0.71 AR (0.47) KCNJ1KCNH2SLC22A12ARPGR
SCHEMBL20930791 0.70 KCNJ1 (0.39) KCNJ1KCNH2SLC22A12ARPGR
SCHEMBL21230254 0.70 KCNJ1 (0.39) KCNJ1KCNH2SLC22A12ARPGR

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.