SCHEMBL19845258

SCHEMBL19845258

CC1(C)c2ccccc2-c2ccc(-c3ccc4c5ccccc5n(-c5nc(-c6cccc(-c7ccccc7-c7ccccc7)c6)nc(-n6c7ccccc7c7ccc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)cc76)n5)c4c3)cc21

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 4/20 0.31
▸ RXRA P19793 2/20 0.31
▸ RARB P10826 1/20 0.31
▸ RARG P13631 1/20 0.31
▸ MTOR P42345 1/20 0.30
▸ RXRB P28702 1/20 0.30

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
SCHEMBL19845243 0.97 PDK2 (0.31) PDK2MTOR
SCHEMBL19845281 0.96 PDK2 (0.34) PDK2RXRARARBRARGMTOR
SCHEMBL25661470 0.96 PDK2 (0.34) PDK2RXRARARBRARGMTOR
SCHEMBL25661608 0.96 PDK2 (0.34) PDK2RXRARARBRARGMTOR
SCHEMBL25661503 0.96 PDK2 (0.34) PDK2RXRARARBRARGMTOR
SCHEMBL19845286 0.96 PDK2 (0.34) PDK2RXRARARBRARGMTOR
SCHEMBL25661516 0.96 PDK2 (0.34) PDK2RXRARARBRARGMTOR
SCHEMBL25661687 0.96 PDK2 (0.34) PDK2RXRARARBRARGMTOR
SCHEMBL19845241 0.95 PDK2 (0.34) PDK2RXRAMTORRXRB
SCHEMBL19851401 0.94 — —

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-20180037574-A1 COMPOUND, COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-02-08 — — 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-20180037574-A1 COMPOUND, COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE PIEZO1, ETV6, LEF1 PDK2 2616/4885RXRA 2893/4885RARB 3084/4885

“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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