SCHEMBL23959731

SCHEMBL23959731

CC(C)(C)c1cccc(-c2cc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc(C(C)(C)C)c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 2/20 0.40
▸ RXRB P28702 2/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ KIF11 P52732 1/20 0.38
▸ PDK2 Q15119 12/20 0.37
▸ MAPT P10636 2/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 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
SCHEMBL23959775 0.96 PDK2 (0.39) RXRARXRBPDK2MAPTMEN1
SCHEMBL23959682 0.92 KDM4E (0.38) RXRARXRBKIF11PDK2MAPT
SCHEMBL23959739 0.91 PDK2 (0.39) RXRARXRBPDK2MAPTMEN1
SCHEMBL19195607 0.89 PDK2 (0.41) PDK2MAPTMEN1ALDH1A1HPGD
SCHEMBL17425465 0.88 PDK2 (0.42) PDK2MAPTMEN1ALDH1A1HPGD
SCHEMBL30020900 0.88 PDK2 (0.42) PDK2MAPTMEN1ALDH1A1HPGD
SCHEMBL26572199 0.87 PDK2 (0.43) PDK2MAPTMEN1ALDH1A1HPGD
SCHEMBL18878270 0.87 PDK2 (0.44) PDK2MAPTMEN1ALDH1A1HPGD
SCHEMBL17425571 0.87 PDK2 (0.44) PDK2MAPTMEN1ALDH1A1HPGD
SCHEMBL18539304 0.87 PDK2 (0.44) PDK2MAPTMEN1ALDH1A1HPGD

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 RXRA 2544/4885RXRB 3264/4885ABCG2 357/4885

“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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