SCHEMBL23959635

SCHEMBL23959635

CCCC(C)(C)c1cc(-c2cncc(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c3)c2)cc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 8/20 0.35
▸ CNR1 P21554 4/20 0.33
▸ CNR2 P34972 4/20 0.33
▸ RXRA P19793 2/20 0.31
▸ RXRB P28702 2/20 0.31
▸ RXRG P48443 1/20 0.30
▸ BACE1 P56817 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
SCHEMBL23959633 0.88 PDK2 (0.42) PDK2RXRARXRB
SCHEMBL23959628 0.86 RXRA (0.33) PDK2RXRARXRB
SCHEMBL23959654 0.77 PDK2 (0.41) PDK2RXRARXRB
SCHEMBL23959775 0.74 PDK2 (0.39) PDK2RXRARXRBRXRG
SCHEMBL23959733 0.74 PDK2 (0.37) PDK2RXRARXRBRXRG
SCHEMBL23959682 0.74 KDM4E (0.38) PDK2RXRARXRB
SCHEMBL23959740 0.74 RXRA (0.38) PDK2RXRARXRBRXRG
SCHEMBL26561821 0.74 PDK2 (0.36) PDK2CNR1CNR2
SCHEMBL22428444 0.74 PDK2 (0.42) PDK2BACE1
SCHEMBL15853158 0.74 PDK2 (0.45) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210336151-A1 Light-Emitting Device Material, Electron-Transport Layer Material, Organic Compound, Light-Emitting Device, Light-Emitting Apparatus, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2021-10-28 — — 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-20210336151-A1 Light-Emitting Device Material, Electron-Transport Layer Material, Organic Compound, Light-Emitting Device, Light-Emitting Apparatus, Electronic Device, and Lighting Device SPIN3, SLC39A3, SKIC3 PDK2 2952/4885CNR1 1675/4885CNR2 1718/4885

“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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