SCHEMBL20208906

SCHEMBL20208906

CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c5c6ccc7c(c6ccc5n(-c5ccccc5)c4c3)c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3n7-c3ccccc3)cc21

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.33
▸ PDK2 Q15119 2/20 0.32
▸ JAK2 O60674 1/20 0.31
▸ JAK3 P52333 1/20 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
SCHEMBL29706020 1.00 PGR (0.33) PGRPDK2JAK2JAK3
SCHEMBL26444920 0.98 PDK2 (0.33) PGRPDK2
SCHEMBL20208904 0.98 PDK2 (0.33) PGRPDK2
SCHEMBL25561269 0.95 PDK2 (0.31) PGRPDK2
SCHEMBL20208749 0.91 — —
SCHEMBL29706046 0.91 — —
SCHEMBL20208905 0.90 PDK2 (0.31) PDK2
SCHEMBL29706008 0.90 PDK2 (0.31) PDK2
SCHEMBL17446030 0.88 KDM4E (0.43) PGRPDK2
SCHEMBL19533771 0.88 — —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11239426-B2 Electroactive compounds LG CHEM, LTD. 2022-02-01 — — US disclosed
WO-2018097937-A1 ELECTROACTIVE COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2018-05-31 — — WO 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-11239426-B2 Electroactive compounds KCNN2, HCN2, KCNN3 PGR 1312/4885PDK2 1291/4885JAK2 3088/4885

“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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