SCHEMBL24476972

SCHEMBL24476972

CC(C)(C)OC(=O)n1ccc(=O)c2cc(F)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.42
HTR6 P50406 1/20 0.40
PLK1 P53350 2/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRA6 Q16445 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PIK3CD O00329 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
HCK P08631 1/20 0.35

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
SCHEMBL819797 0.82 PIK3CD (0.46) BUB1HTR6HSP90AA1HSP90AB1PIK3CD
SCHEMBL18805035 0.82 PIK3CD (0.46) BUB1HTR6HSP90AA1HSP90AB1PIK3CD
SCHEMBL24476978 0.80 L3MBTL1 (0.51) BUB1HTR6L3MBTL1HSP90AA1HSP90AB1
SCHEMBL2115428 0.80 HTR6 (0.46) BUB1HTR6PLK1GABRA1GABRG2
SCHEMBL30711678 0.79 BUB1 (0.42) BUB1HTR6HSP90AA1HSP90AB1PIK3CD
SCHEMBL7218364 0.79 BUB1 (0.42) BUB1HTR6HSP90AA1HSP90AB1PIK3CD
SCHEMBL16972300 0.78 HTR6 (0.46) BUB1HTR6PLK1GABRA1GABRG2
SCHEMBL3051164 0.78 HTR6 (0.46) BUB1HTR6PLK1GABRA1GABRG2
SCHEMBL30407382 0.78 HTR6 (0.46) BUB1HTR6PLK1GABRA1GABRG2
SCHEMBL30458162 0.78 HTR6 (0.54) HTR6PLK1GABRA1GABRG2GABRB3

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-20220169581-A1 DIRECT AROMATIC CARBON-OXYGEN AND CARBON-HYDROGEN BOND FUNCTIONALIZATION VIA ORGANIC PHOTOREDOX CATALYST THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2022-06-02 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-20220169581-A1 DIRECT AROMATIC CARBON-OXYGEN AND CARBON-HYDROGEN BOND FUNCTIONALIZATION VIA ORGANIC PHOTOREDOX CATALYST PPOX, CYCS, SCO2 BUB1 3665/4885HTR6 2689/4885PLK1 4474/4885

“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.