SCHEMBL22959534

SCHEMBL22959534

CC1(C)c2cc(-c3cccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c7cc8c(cc7n(-c7ccccc7)c6c5)C(C)(C)c5ccccc5-8)cc4)c3)ccc2-c2ccc(N(c3ccccc3)c3ccc4c5cc6c(cc5n(-c5ccccc5)c4c3)C(C)(C)c3ccccc3-6)cc21

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 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
SCHEMBL20616076 0.95 — —
SCHEMBL20616084 0.95 — —
SCHEMBL20616088 0.95 PDK2 (0.31) PDK2
SCHEMBL20616083 0.95 PGR (0.30) PDK2
SCHEMBL20616087 0.94 PGR (0.31) —
SCHEMBL20616075 0.94 PGR (0.31) —
SCHEMBL15752362 0.93 PDK2 (0.31) PDK2
SCHEMBL20616093 0.93 — —
SCHEMBL20616074 0.93 PDK2 (0.30) PDK2
SCHEMBL20616097 0.93 PGR (0.32) —

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-20210040038-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2021-02-11 — — 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-20210040038-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, CYP1A1, CYP1B1 PDK2 1102/4885

“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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