SCHEMBL15028536

SCHEMBL15028536

CCCCO[C@@H]1OC2COC(C)(C)O[C@H]2C(O[C@@H]2OC(CO)[C@H](O)C(O)[C@@H]2O)[C@@H]1N

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GJB2 P29033 7/20 0.46
▸ LGALS8 O00214 3/20 0.41
▸ LGALS3 P17931 3/20 0.41
▸ LGALS4 P56470 3/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ GJA1 P17302 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ IGF2R P11717 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ SYNJ2 O15056 1/20 0.38

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
SCHEMBL15028629 0.87 MAPK1 (0.55) GJB2LGALS8LGALS3LGALS4MAPK1
SCHEMBL16153926 0.82 SLC6A2 (0.47) GJB2GJA1SYNJ2
SCHEMBL4203209 0.77 GBA1 (0.36) GJB2MAPK1LMNA
SCHEMBL28276199 0.73 MAPK1 (0.38) MAPK1IGF2R
SCHEMBL28274780 0.73 MAPK1 (0.38) MAPK1IGF2R
SCHEMBL28276205 0.73 MAPK1 (0.38) MAPK1IGF2R
SCHEMBL28274791 0.73 MAPK1 (0.38) MAPK1IGF2R
SCHEMBL13977483 0.73 LGALS8 (0.60) GJB2LGALS8LGALS3LGALS4MEN1
SCHEMBL16204127 0.73 LGALS8 (0.60) GJB2LGALS8LGALS3LGALS4MEN1
SCHEMBL8773131 0.73 LGALS3 (0.72) GJB2LGALS8LGALS3LGALS4MAPK1

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-20140303363-A1 Preparation and Use of Isolactosamine and Intermediates therefor GLYCOM A/S (DK) 2014-10-09 — — US disclosed
WO-2013083136-A1 PREPARATION AND USE OF ISOLACTOSAMINE AND INTERMEDIATES THEREFOR GLYCOM A/S (DK) 2013-06-13 — — 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-20140303363-A1 Preparation and Use of Isolactosamine and Intermediates therefor GALE, B4GALT1, GNE GJB2 1285/4885LGALS8 26/4885LGALS3 53/4885

“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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