SCHEMBL22250980

SCHEMBL22250980

C=C(/C=C\C=C(C)C)N(c1cccc(C)c1)c1ccc2c(c1)C1(c3cc(N(c4cccc(C)c4)c4cccc(C)c4)ccc3-2)c2cc(N(c3cccc(C)c3)c3cccc(C)c3)ccc2-c2ccc(N(c3cccc(C)c3)c3cccc(C)c3)cc21

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.31

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
SCHEMBL20814385 0.85 SIGMAR1 (0.33) —
SCHEMBL18786358 0.84 TRPM8 (0.32) —
SCHEMBL21972808 0.80 — —
SCHEMBL15910171 0.78 ACHE (0.38) PDK2
SCHEMBL18902872 0.76 SIGMAR1 (0.31) —
SCHEMBL19883138 0.76 — —
SCHEMBL12325217 0.75 PDK2 (0.37) PDK2
SCHEMBL2464375 0.74 PDK2 (0.38) PDK2
SCHEMBL13021491 0.74 PDK2 (0.38) PDK2
SCHEMBL19752529 0.74 PDK2 (0.35) PDK2

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-20200235313-A1 COMPOUND, LIGHT-EMITTING MATERIAL AND LIGHT-EMITTING ELEMENT KYULUX, INC. (JP) 2020-07-23 — — 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-20200235313-A1 COMPOUND, LIGHT-EMITTING MATERIAL AND LIGHT-EMITTING ELEMENT LBR, CTNND1, NCL PDK2 4199/4885

“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.

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