SCHEMBL12898703

SCHEMBL12898703

CCCCOCC1O[C@@H](O)C(OCCCC)C(OCCCC)[C@@H]1O[C@@H]1OC(CO)[C@H](O)C(OCCCC)C1OCCCC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GJB2 P29033 5/20 0.46
▸ SLC2A1 P11166 1/20 0.39
▸ TNF P01375 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ LGALS8 O00214 1/20 0.37
▸ LGALS3 P17931 1/20 0.37
▸ LGALS4 P56470 1/20 0.37
▸ FGF1 P05230 1/20 0.35
▸ ENGASE Q8NFI3 1/20 0.35
▸ GBA1 P04062 1/20 0.35
▸ SELL P14151 1/20 0.34
▸ SELP P16109 1/20 0.34
▸ CD209 Q9NNX6 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
SCHEMBL15883868 0.94 GJB2 (0.48) GJB2SLC2A1TNFFGF1GBA1
SCHEMBL10291406 0.94 GJB2 (0.48) GJB2SLC2A1TNFFGF1GBA1
SCHEMBL14854492 0.92 GJB2 (0.44) GJB2SLC2A1TNFMAPK1LGALS8
SCHEMBL10292101 0.91 GJB2 (0.48) GJB2TNFFGF1GBA1
SCHEMBL19204221 0.91 GJB2 (0.48) GJB2TNFFGF1GBA1
SCHEMBL18315050 0.88 GJB2 (0.50) GJB2TNFLGALS8LGALS3LGALS4
SCHEMBL10291407 0.88 GJB2 (0.50) GJB2TNFLGALS8LGALS3LGALS4
SCHEMBL14846437 0.87 GJB2 (0.45) GJB2TNFMAPK1LGALS8LGALS3
SCHEMBL13620137 0.86 GJB2 (0.46) GJB2TNFMAPK1LGALS8LGALS3
SCHEMBL19204198 0.85 GJB2 (0.52) GJB2TNFLGALS8LGALS3LGALS4

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-20110046003-A1 ALPHA-SELECTIVE SIALYL PHOSPHATE DONORS FOR PREPARATION OF SIALOSIDES AND SIALOSIDE ARRAYS FOR INFLUENZA VIRUS DETECTION ACADEMIA SINICA (TW) 2011-02-24 — — 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-20110046003-A1 ALPHA-SELECTIVE SIALYL PHOSPHATE DONORS FOR PREPARATION OF SIALOSIDES AND SIALOSIDE ARRAYS FOR INFLUENZA VIRUS DETECTION NEU4, ST6GAL1, NEU3 GJB2 1185/4885SLC2A1 1328/4885TNF 4795/4885

“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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