SCHEMBL21998634

SCHEMBL21998634

CC(N)C1CC(C)(C)N(O)C1(C)C

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 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
SCHEMBL18545624 0.83 GAA (0.52) GAAL3MBTL1
SCHEMBL22315405 0.79 GAA (0.48) GAAL3MBTL1KDM4E
SCHEMBL7941186 0.75
SCHEMBL16361593 0.74 GAA (0.41) GAAL3MBTL1
SCHEMBL20850057 0.73 GAA (0.47) GAAL3MBTL1KDM4E
SCHEMBL20629100 0.73 GAA (0.42) GAAL3MBTL1
SCHEMBL7941375 0.71 GAA (0.40) GAAL3MBTL1KDM4E
SCHEMBL13735926 0.70 GAA (0.39) GAAL3MBTL1
SCHEMBL377190 0.69 GAA (0.56) GAAL3MBTL1KDM4E
SCHEMBL18545708 0.69 GAA (0.56) GAAL3MBTL1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11472790-B2 Dinitroxide biradical compounds as polarizing agents COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2022-10-18 US disclosed
US-20200148666-A1 DINITROXIDE BIRADICAL COMPOUNDS AS POLARIZING AGENTS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2020-05-14 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 (2 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-11472790-B2 Dinitroxide biradical compounds as polarizing agents NDC1, NUCB2, MDM4 GAA 2894/4885L3MBTL1 1320/4885KDM4E 2856/4885
US-20200148666-A1 DINITROXIDE BIRADICAL COMPOUNDS AS POLARIZING AGENTS NDC1, NUCB2, MDM4 GAA 2894/4885L3MBTL1 1320/4885KDM4E 2856/4885

“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.