SCHEMBL23968847

SCHEMBL23968847

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.39
STS P08842 1/20 0.38
MAPT P10636 2/20 0.36
PKM P14618 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
ESR2 Q92731 1/20 0.34
CYP11B2 P19099 5/20 0.34
CYP11B1 P15538 3/20 0.34
PDK2 Q15119 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC22A12 Q96S37 1/20 0.33
MAP4K4 O95819 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
SCHEMBL21917132 1.00 MMP3 (0.39) MMP3STSMAPTPKMALDH1A1
SCHEMBL21917279 0.98 MMP3 (0.42) MMP3STSMAPTPKMALDH1A1
SCHEMBL21917275 0.89 MAPT (0.34) MMP3STSMAPTPKMALDH1A1
SCHEMBL23968949 0.86 CNR1 (0.38) MAPTPKMALDH1A1GAAESR2
SCHEMBL21917430 0.86 CNR1 (0.38) MAPTPKMALDH1A1GAAESR2
SCHEMBL21917341 0.85 ALDH1A1 (0.42) MAPTPKMALDH1A1GAAESR2
SCHEMBL23969123 0.85 ALDH1A1 (0.42) MAPTPKMALDH1A1GAAESR2
SCHEMBL21917090 0.85 ALDH1A1 (0.34) MAPTPKMALDH1A1GAA
SCHEMBL23968939 0.84 CYP11B1 (0.39) MAPTPKMALDH1A1GAACYP11B2
SCHEMBL21917267 0.83 CLK4 (0.41) PDK2SLC22A12

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 MMP3 4696/4885STS 3690/4885MAPT 1908/4885

“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.