SCHEMBL10135284

SCHEMBL10135284

CC1(C)CC(OCOOCOC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.30
KMT2A Q03164 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
SCHEMBL13227474 0.86 GAA (0.38) GAAL3MBTL1HTT
SCHEMBL15672481 0.83 GAA (0.41) GAAL3MBTL1HTT
SCHEMBL13227475 0.82 GAA (0.35) GAAL3MBTL1HTT
SCHEMBL15144005 0.81
SCHEMBL1150231 0.81 GAA (0.40) GAAL3MBTL1HTT
SCHEMBL15672512 0.79 GAA (0.39) GAAL3MBTL1HTT
SCHEMBL16790813 0.79 GAA (0.39) GAAL3MBTL1HTT
SCHEMBL987059 0.78 GAA (0.38) GAAL3MBTL1HTT
SCHEMBL19720362 0.78 GAA (0.38) GAAL3MBTL1HTT
SCHEMBL13202041 0.76 GAA (0.36) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859235-B2 Methods in cell cultures, and related inventions, employing certain additives BASF SE (DE) 2014-10-14 US disclosed
US-20120164162-A1 METHODS IN CELL CULTURES, AND RELATED INVENTIONS, EMPLOYING CERTAIN ADDITIVES BASF SE (DE) 2012-06-28 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-20120164162-A1 METHODS IN CELL CULTURES, AND RELATED INVENTIONS, EMPLOYING CERTAIN ADDITIVES BBOX1, NEFM, NQO1 GAA 3210/4885L3MBTL1 2801/4885HTT 1709/4885

“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.