SCHEMBL23969054

SCHEMBL23969054

N#CC(C#N)=C1c2cc(C#N)c(-c3ccc(-c4c(F)c(F)c(F)c(F)c4F)cc3)cc2-c2cc(-c3ccc(-c4c(F)c(F)c(F)c(F)c4F)cc3)c(C#N)cc21

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
PKM P14618 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ESR2 Q92731 1/20 0.31
HPRT1 P00492 1/20 0.31
DHODH Q02127 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
SCHEMBL21917438 0.88 ADORA2A (0.30)
SCHEMBL21917430 0.87 CNR1 (0.38) MAPTPKMALDH1A1GAACNR1
SCHEMBL23968949 0.87 CNR1 (0.38) MAPTPKMALDH1A1GAACNR1
SCHEMBL23969103 0.86 ALDH1A1 (0.34) MAPTPKMALDH1A1GAAHPRT1
SCHEMBL23968921 0.86 ALDH1A1 (0.34) MAPTPKMALDH1A1GAAHPRT1
SCHEMBL23968912 0.86 MAPT (0.32) MAPTPKMALDH1A1GAACNR1
SCHEMBL23968939 0.85 CYP11B1 (0.39) MAPTPKMALDH1A1GAACNR1
SCHEMBL23968914 0.84 ESR1 (0.36) MAPTPKMALDH1A1GAAMEN1
SCHEMBL23968847 0.82 MMP3 (0.39) MAPTPKMALDH1A1GAAMEN1
SCHEMBL21917132 0.82 MMP3 (0.39) MAPTPKMALDH1A1GAAMEN1

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 MAPT 1908/4885PKM 2603/4885ALDH1A1 1094/4885

“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.