SCHEMBL21368167

SCHEMBL21368167

CC1(C)c2ccccc2-c2ccc(Nc3cc(-c4ccccc4)cc4c3-c3ccc(-c5ccccc5)cc3C4(C)C)cc21

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 15/20 0.39
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ MET P08581 2/20 0.33
▸ HGF P14210 2/20 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
SCHEMBL15713488 0.90 PDK2 (0.39) PDK2
SCHEMBL18594401 0.87 PDK2 (0.40) PDK2HDAC1HDAC3HDAC2
SCHEMBL9916961 0.87 PDK2 (0.47) PDK2
SCHEMBL16366420 0.86 PDK2 (0.49) PDK2
SCHEMBL25125148 0.85 PDK2 (0.40) PDK2
SCHEMBL18020024 0.84 PDK2 (0.45) PDK2
SCHEMBL15713467 0.84 PDK2 (0.39) PDK2
SCHEMBL29892218 0.84 PDK2 (0.39) PDK2
SCHEMBL24078497 0.84 PDK2 (0.40) PDK2METHGF
SCHEMBL19163603 0.83 PDK2 (0.41) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11302870-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2022-04-12 — — US disclosed
US-20200048207-A1 COMPOUNDS WITH ARYLAMINE STRUCTURES MERCK PATENT GMBH (DE) 2020-02-13 — — US disclosed
US-20190288206-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-09-19 — — 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 (3 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-11302870-B2 Materials for electronic devices EFNA1, PNMT, FLNB PDK2 866/4885HDAC1 3696/4885HDAC3 4586/4885
US-20200048207-A1 COMPOUNDS WITH ARYLAMINE STRUCTURES DDT, NAT1, INMT PDK2 951/4885HDAC1 3617/4885HDAC3 2575/4885
US-20190288206-A1 MATERIALS FOR ELECTRONIC DEVICES EFNA1, PNMT, FLNB PDK2 833/4885HDAC1 3647/4885HDAC3 4591/4885

“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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