SCHEMBL23968819

SCHEMBL23968819

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.41
PTGDR2 Q9Y5Y4 5/20 0.39
CASR P41180 3/20 0.38
KIF11 P52732 3/20 0.36
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL21917696 0.91 RXRA (0.37) BACE1PTGDR2CASRKIF11MAPT
SCHEMBL23968957 0.88 PDE3B (0.37) PTGDR2MAPTALDH1A1GAAPKM
SCHEMBL23968853 0.88 KDM4E (0.36) PTGDR2MAPTKDM4EL3MBTL1AKR1C3
SCHEMBL23968861 0.88 ALDH1A1 (0.39) BACE1KIF11MAPTALDH1A1SMN1; SMN2
SCHEMBL21917113 0.87 PDE3B (0.37) MAPTALDH1A1GAAPKM
SCHEMBL21917288 0.87 PTGDR2 (0.41) PTGDR2KIF11MAPTALDH1A1SIGMAR1
SCHEMBL21917690 0.87 ALDH1A1 (0.38) KIF11MAPTALDH1A1AKR1C2SMN1; SMN2
SCHEMBL23969082 0.87 ABL1 (0.37) MAPTALDH1A1GAAPKM
SCHEMBL21917313 0.86 BACE1 (0.37) BACE1PTGDR2CASRMAPTALDH1A1
SCHEMBL23969088 0.86 KDM4E (0.46) BACE1PTGDR2MAPTKDM4EL3MBTL1

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 BACE1 2120/4885PTGDR2 3661/4885CASR 1877/4885

“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.