SCHEMBL919138

SCHEMBL919138

CC(C)=C1CC(=O)O1.CC1CC(=O)O1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.60
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
MAOA P21397 6/20 0.33
MAOB P27338 4/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 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
SCHEMBL1603875 0.82
SCHEMBL432483 0.78
SCHEMBL374192 0.78
SCHEMBL35509 0.78
SCHEMBL23621134 0.75 SMN1; SMN2 (0.94) SMN1; SMN2CA1CA9MAOAMAOB
SCHEMBL9301611 0.75 SMN1; SMN2 (0.94) SMN1; SMN2CA1CA9MAOAMAOB
SCHEMBL20582013 0.75 SMN1; SMN2 (0.94) SMN1; SMN2CA1CA9MAOAMAOB
SCHEMBL22001696 0.75 SMN1; SMN2 (0.94) SMN1; SMN2CA1CA9MAOAMAOB
SCHEMBL804333 0.75 SMN1; SMN2 (0.94) SMN1; SMN2CA1CA9MAOAMAOB
Water SCHEMBL7174460 0.75 SMN1; SMN2 (0.94) SMN1; SMN2CA1CA9MAOAMAOB

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-20110021658-A1 Polyketal Compounds, Synthesis, and Applications SEGETIS, INC. (US) 2011-01-27 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-20110021658-A1 Polyketal Compounds, Synthesis, and Applications TKT, KYAT1, KHK SMN1; SMN2 4416/4885CA1 1779/4885CA9 1101/4885

“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.