SCHEMBL19652045

SCHEMBL19652045

CC1(C)OC2C(O)[C@H](O[C@@H]3C(CO)O[C@@H](OCc4ccccc4)C(O)[C@H]3O)O[C@@H](CO)[C@@H]2O1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.45
HRAS P01112 1/20 0.44
LGALS9 O00182 2/20 0.40
LGALS3 P17931 3/20 0.39
LGALS1 P09382 1/20 0.39
LGALS7; LGALS7B P47929 1/20 0.39
LGALS8 O00214 2/20 0.39
LGALS4 P56470 1/20 0.39
MAG P20916 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
GJB2 P29033 1/20 0.38
TYR P14679 2/20 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
SCHEMBL19658823 1.00 SLC6A2 (0.45) SLC6A2HRASLGALS9LGALS3LGALS1
SCHEMBL7642620 0.91 SLC6A2 (0.44) SLC6A2LGALS8
SCHEMBL7154227 0.91 SLC6A2 (0.44) SLC6A2LGALS8
SCHEMBL15955443 0.88 SLC6A2 (0.39) SLC6A2HRASLGALS9LGALS3LGALS1
SCHEMBL17173997 0.85 SLC6A2 (0.43) SLC6A2HRASLGALS3LGALS8MAG
SCHEMBL5497489 0.83 SLC6A2 (0.58) SLC6A2HRASLGALS9LGALS3LGALS1
SCHEMBL5497498 0.83 SLC6A2 (0.58) SLC6A2HRASLGALS9LGALS3LGALS1
SCHEMBL6704224 0.83 SLC6A2 (0.41) SLC6A2LGALS8
SCHEMBL6701050 0.83 SLC6A2 (0.41) SLC6A2LGALS8
SCHEMBL7156144 0.83 SLC6A2 (0.41) SLC6A2LGALS8

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-20170340654-A1 CRYSTALLINE DIFUCOSYLLACTOSE GLYCOM A/S (DK) 2017-11-30 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-20170340654-A1 CRYSTALLINE DIFUCOSYLLACTOSE UGGT1, FUCA2, FUT6 SLC6A2 2544/4885HRAS 3557/4885LGALS9 214/4885

“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.