SCHEMBL12468548

SCHEMBL12468548

CC1(C)CC(OCC(O)CNCC2CC(C)(C)N(O)C2(C)C)CC(C)(C)N1O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
HTT P42858 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
SCHEMBL13202049 0.82 MEN1 (0.33) MEN1KMT2AHTT
SCHEMBL26290593 0.79 GAA (0.36) GAAL3MBTL1MEN1KMT2AHTT
SCHEMBL5405789 0.78 KDM4E (0.32) MEN1KMT2AHTT
SCHEMBL7211170 0.77 MEN1 (0.30) MEN1KMT2AHTT
SCHEMBL4387071 0.77 MEN1 (0.33) GAAL3MBTL1MEN1KMT2AHTT
SCHEMBL2025232 0.74 GAA (0.33) GAAL3MBTL1MEN1KMT2AHTT
SCHEMBL987956 0.73 MEN1 (0.33) GAAL3MBTL1MEN1KMT2AHTT
SCHEMBL13202053 0.71 MEN1 (0.33) MEN1KMT2AHTT
SCHEMBL13328964 0.71 GAA (0.35) GAAL3MBTL1HTT
SCHEMBL18545545 0.71 GAA (0.44) GAAL3MBTL1

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-7985594-B2 Biradical polarizing agents for dynamic nuclear polarization MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-07-26 US disclosed
US-20090302842-A1 BIRADICAL POLARIZING AGENTS FOR DYNAMIC NUCLEAR POLARIZATION MASSACHUSETTS INSTITUTE OF TECNOLOGY (US) 2009-12-10 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-20090302842-A1 BIRADICAL POLARIZING AGENTS FOR DYNAMIC NUCLEAR POLARIZATION NUMA1, KPNA2, MEN1 GAA 4396/4885L3MBTL1 2333/4885MEN1 3/4885

“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.