SCHEMBL23968957

SCHEMBL23968957

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
SQOR Q9Y6N5 2/20 0.32
MAPT P10636 2/20 0.32
PKM P14618 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
AR P10275 1/20 0.30
DHODH Q02127 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PDK2 Q15119 1/20 0.30
PTGDR2 Q9Y5Y4 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
SCHEMBL21917113 0.99 PDE3B (0.37) PDE3BPDE3ASQORMAPTPKM
SCHEMBL23968861 0.89 ALDH1A1 (0.39) MAPTALDH1A1GAAFFAR4MEN1
SCHEMBL21917441 0.88 ALDH1A1 (0.30) MAPTPKMALDH1A1GAA
SCHEMBL21917288 0.88 PTGDR2 (0.41) MAPTPKMALDH1A1GAAPDK2
SCHEMBL23968819 0.88 BACE1 (0.41) MAPTPKMALDH1A1GAAPTGDR2
SCHEMBL21917690 0.88 ALDH1A1 (0.38) MAPTALDH1A1GAAFFAR4MEN1
SCHEMBL21917313 0.88 BACE1 (0.37) MAPTPKMALDH1A1GAAFFAR4
SCHEMBL23969017 0.87 KIF11 (0.30)
SCHEMBL23969016 0.87 PTGDR2 (0.40) MAPTPKMALDH1A1GAAPDK2
SCHEMBL23969073 0.87 PDE2A (0.39) MAPTPKMALDH1A1GAAFFAR4

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 PDE3B 4694/4885PDE3A 4777/4885SQOR 752/4885

“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.