SCHEMBL19797541

SCHEMBL19797541

CC1(C)c2ccccc2-c2ccc(-c3ccc(Nc4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c(-c5ccccc5)c4)cc3-c3ccccc3)cc21

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 15/20 0.42
▸ RARB P10826 1/20 0.37
▸ RARG P13631 1/20 0.37
▸ RXRA P19793 1/20 0.37
▸ APP P05067 1/20 0.36
▸ FNTA P49354 1/20 0.33
▸ FNTB P49356 1/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ ABCC1 P33527 1/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33

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
SCHEMBL24969712 0.96 PDK2 (0.42) PDK2RARBRARGRXRAAPP
SCHEMBL31245649 0.94 PDK2 (0.45) PDK2RARBRARGRXRAAPP
SCHEMBL21582649 0.94 PDK2 (0.47) PDK2APPFNTAFNTBABCB1
SCHEMBL31245655 0.94 PDK2 (0.40) PDK2RARBRARGRXRAAPP
SCHEMBL19597627 0.92 PDK2 (0.41) PDK2RARBRARGRXRAAPP
SCHEMBL23091845 0.91 PDK2 (0.48) PDK2APP
SCHEMBL23561439 0.91 PDK2 (0.43) PDK2RARBRARGRXRAAPP
SCHEMBL19798347 0.91 PDK2 (0.50) PDK2RARBRARGRXRAAPP
SCHEMBL16912960 0.90 PDK2 (0.46) PDK2APPABCB1ABCC1ABCG2
SCHEMBL25569223 0.89 ALDH1A1 (0.38) PDK2APP

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-20180026199-A1 ORGANIC ELECTROLUMINESCENT DEVICE SFC CO., LTD. (KR) 2018-01-25 — — 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-20180026199-A1 ORGANIC ELECTROLUMINESCENT DEVICE KCNN2, SLC7A5, KCNN1 PDK2 1892/4885RARB 4202/4885RARG 4357/4885

“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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