SCHEMBL19845669

SCHEMBL19845669

CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3n4-c3nc(-c4ccccc4-c4ccccc4)nc(-n4c5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5c5cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc54)n3)cc21

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 14/20 0.34
▸ RARB P10826 1/20 0.32
▸ RARG P13631 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL19845260 0.97 PDK2 (0.33) PDK2RARBRARGRXRA
SCHEMBL19845267 0.94 PDK2 (0.34) PDK2
SCHEMBL19845280 0.93 PDK2 (0.34) PDK2
SCHEMBL19845672 0.92 PDK2 (0.33) PDK2RARBRARGRXRA
SCHEMBL19845259 0.90 PDK2 (0.33) PDK2RARBRARGRXRA
SCHEMBL19845269 0.90 NPY5R (0.31) PDK2RARBRARGRXRA
SCHEMBL23318273 0.89 PDK2 (0.36) PDK2
SCHEMBL20633966 0.89 PDK2 (0.36) PDK2
SCHEMBL19845670 0.89 PDK2 (0.36) PDK2RARBRARG
SCHEMBL19845271 0.89 NPY5R (0.31) 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 2 patents. 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
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 2616/4885RARB 3084/4885RARG 3190/4885

“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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