SCHEMBL22870486

SCHEMBL22870486

CC(C)(C)c1cc(-c2ccc(Nc3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 10/20 0.44
▸ RXRA P19793 3/20 0.36
▸ RXRB P28702 3/20 0.36
▸ RXRG P48443 3/20 0.36
▸ CNR1 P21554 1/20 0.33
▸ SERPINE1 P05121 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ PLA2G1B P04054 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ SENP8 Q96LD8 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31
▸ SENP6 Q9GZR1 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ATG4B Q9Y4P1 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
SCHEMBL29416687 1.00 PDK2 (0.44) PDK2RXRARXRBRXRGCNR1
SCHEMBL31584054 0.90 CNR1 (0.44) PDK2RXRARXRBCNR1
SCHEMBL30359216 0.89 CNR1 (0.43) PDK2RXRARXRBCNR1
SCHEMBL29853707 0.88 PDK2 (0.49) PDK2SERPINE1NPC1ALDH1A1PLA2G1B
SCHEMBL16596687 0.88 PDK2 (0.49) PDK2SERPINE1NPC1ALDH1A1PLA2G1B
SCHEMBL30935419 0.88 PDK2 (0.49) PDK2SERPINE1NPC1ALDH1A1PLA2G1B
SCHEMBL30737911 0.88 PDK2 (0.50) PDK2ALDH1A1L3MBTL1
SCHEMBL10041508 0.88 PDK2 (0.50) PDK2ALDH1A1L3MBTL1
SCHEMBL25647234 0.86 PDK2 (0.41) PDK2SERPINE1
SCHEMBL31755072 0.86 KCNK18 (0.38) PDK2CNR1NPC1ALDH1A1PLA2G1B

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-20230029353-A1 HOLE-TRANSPORT LAYER MATERIAL, ELECTRON-BLOCKING LAYER MATERIAL, ELECTRON-TRANSPORT LAYER MATERIAL, HOLEBLOCKING LAYER MATERIAL, LIGHT-EMITTING DEVICE, LIGHTEMITTING APPARATUS, ELECTRONIC DEVICE, AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2023-01-26 — — US disclosed
US-20220077391-A1 LIGHT-EMITTING DEVICE, LIGHT-EMITTING APPARATUS, ELECTRONIC APPARATUS, AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2022-03-10 — — US disclosed
US-20210005814-A1 MATERIAL FOR HOLE-TRANSPORT LAYER, MATERIAL FOR HOLE-INJECTION LAYER, ORGANIC COMPOUND, LIGHT-EMITTING DEVICE, LIGHT-EMITTING APPARATUS, ELECTRONIC DEVICE, AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2021-01-07 — — 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-20210005814-A1 MATERIAL FOR HOLE-TRANSPORT LAYER, MATERIAL FOR HOLE-INJECTION LAYER, ORGANIC COMPOUND, LIGHT-EMITTING DEVICE, LIGHT-EMITTING APPARATUS, ELECTRONIC DEVICE, AND LIGHTING DEVICE SLC18A1, AOC3, HTR3D PDK2 4080/4885RXRA 3995/4885RXRB 3724/4885
US-20220077391-A1 LIGHT-EMITTING DEVICE, LIGHT-EMITTING APPARATUS, ELECTRONIC APPARATUS, AND LIGHTING DEVICE LBR, CRY1, CTNNA1 PDK2 4014/4885RXRA 688/4885RXRB 1718/4885
US-20230029353-A1 HOLE-TRANSPORT LAYER MATERIAL, ELECTRON-BLOCKING LAYER MATERIAL, ELECTRON-TRANSPORT LAYER MATERIAL, HOLEBLOCKING LAYER MATERIAL, LIGHT-EMITTING DEVICE, LIGHTEMITTING APPARATUS, ELECTRONIC DEVICE, AND LIGHTING DEVICE GOLT1B, CLTB, LAMP2 PDK2 4439/4885RXRA 4110/4885RXRB 3162/4885

“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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