SCHEMBL23968934

SCHEMBL23968934

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
EGFR P00533 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL21917093 1.00 CTSS (0.33) CTSSCTSKEGFRALDH1A1GAA
SCHEMBL23969037 0.89 MAPT (0.37) EGFRALDH1A1GAAMAPTPKM
SCHEMBL12149348 0.87 MAPT (0.36) EGFRALDH1A1GAAMAPTPKM
SCHEMBL21917096 0.83 MAPT (0.40) EGFRALDH1A1GAAMAPTPKM
SCHEMBL21917087 0.81 KCNJ1 (0.34) EGFRALDH1A1GAAMAPTPKM
SCHEMBL21917670 0.81 KCNJ1 (0.34) EGFRALDH1A1GAAMAPTPKM
SCHEMBL23968978 0.80 CTSS (0.30) CTSSCTSK
SCHEMBL23968838 0.80 CTSS (0.30) CTSSCTSK
SCHEMBL23968862 0.79 CTSS (0.30) CTSSCTSK
SCHEMBL21917088 0.79 AR (0.34) CTSSCTSK

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 CTSS 4077/4885CTSK 2897/4885EGFR 916/4885

“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.