SCHEMBL25866725

SCHEMBL25866725

CC1(C)CC(OCCCO)CC(C)(C)N1O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 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
SCHEMBL26157615 0.93 GAA (0.33) GAAL3MBTL1HTT
SCHEMBL15672512 0.90 GAA (0.39) GAAL3MBTL1HTT
SCHEMBL16790813 0.90 GAA (0.39) GAAL3MBTL1HTT
SCHEMBL19720362 0.89 GAA (0.38) GAAL3MBTL1HTT
SCHEMBL15672481 0.86 GAA (0.41) GAAL3MBTL1HTT
SCHEMBL2218799 0.85 GAA (0.35) GAAL3MBTL1HTT
SCHEMBL24849801 0.84 GAA (0.34) GAAL3MBTL1HTT
SCHEMBL15686223 0.84 GAA (0.34) GAAL3MBTL1HTT
SCHEMBL7211160 0.84 GAA (0.34) GAAL3MBTL1HTT
SCHEMBL24849803 0.84 GAA (0.34) GAAL3MBTL1HTT

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-20230293734-A1 FLUORINE-CONTAINING COMPOUND AND CONTRAST AGENT TDK CORPORATION (JP) 2023-09-21 US disclosed
WO-2023135846-A1 FLUORINATED COMPOUND AND CONTRAST MEDIUM TDK株式会社 2023-07-20 WO disclosed
WO-2023084859-A1 FLUORINE-CONTAINING COMPOUND AND CONTRAST AGENT TDK株式会社 2023-05-19 WO 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-20230293734-A1 FLUORINE-CONTAINING COMPOUND AND CONTRAST AGENT AFF1, NOX3, CBR3 GAA 4720/4885L3MBTL1 1978/4885HTT 4042/4885

“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.