SCHEMBL13456871

SCHEMBL13456871

CCCCOC[C@H]1OC(O)[C@H](O)[C@H]1OCCCC

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GJB2 P29033 5/20 0.49
▸ GBA1 P04062 5/20 0.43
▸ SLC2A1 P11166 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TNF P01375 1/20 0.36
▸ SMPD1 P17405 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL13456774 1.00 GJB2 (0.49) GJB2GBA1SLC2A1SMN1; SMN2TNF
SCHEMBL14418558 0.95 GBA1 (0.46) GJB2GBA1SLC2A1SMN1; SMN2TNF
SCHEMBL5682296 0.95 GBA1 (0.50) GJB2GBA1SLC2A1TNFSMPD1
SCHEMBL13810618 0.92 GJB2 (0.51) GJB2GBA1SLC2A1SMN1; SMN2TNF
SCHEMBL12085702 0.92 GJB2 (0.51) GJB2GBA1SLC2A1SMN1; SMN2TNF
SCHEMBL14291824 0.89 GJB2 (0.47) GJB2GBA1SLC2A1SMN1; SMN2TNF
SCHEMBL15505953 0.89 GJB2 (0.45) GJB2GBA1SLC2A1SMN1; SMN2TNF
SCHEMBL280129 0.89 GJB2 (0.45) GJB2GBA1SLC2A1SMN1; SMN2TNF
SCHEMBL14413551 0.89 GJB2 (0.45) GJB2GBA1SLC2A1SMN1; SMN2TNF
SCHEMBL16731206 0.89 GJB2 (0.45) GJB2GBA1SLC2A1SMN1; SMN2TNF

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-20100063302-A1 CYCLIC SULFONIUM SALT, METHOD FOR PRODUCTION OF CYCLIC SULFONIUM SALT, AND GLYCOSIDASE INHIBITOR TAKANO CO., LTD. (JP) 2010-03-11 — — 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-20100063302-A1 CYCLIC SULFONIUM SALT, METHOD FOR PRODUCTION OF CYCLIC SULFONIUM SALT, AND GLYCOSIDASE INHIBITOR STS, SI, DDOST GJB2 2713/4885GBA1 525/4885SLC2A1 46/4885

“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.

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