SCHEMBL20161631

SCHEMBL20161631

CCCCCCCCCCCCCCNC(=O)SC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 7/20 0.44
LGALS1 P09382 3/20 0.44
LGALS9 O00182 2/20 0.44
LGALS8 O00214 2/20 0.44
MAPK1 P28482 1/20 0.42
LGALS7; LGALS7B P47929 1/20 0.41
PYGB P11216 2/20 0.41
GAA P10253 1/20 0.40
EPHX1 P07099 2/20 0.39
EPHX2 P34913 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
SCHEMBL20161455 1.00 LGALS3 (0.44) LGALS3LGALS1LGALS9LGALS8MAPK1
SCHEMBL20161710 0.84 FUCA1 (0.47) EPHX1
SCHEMBL20161697 0.77 LGALS3 (0.55) LGALS3LGALS1LGALS9LGALS8PYGB
SCHEMBL20161323 0.77 NAAA (0.47) MAPK1PYGBGAAEPHX1EPHX2
Dextrose SCHEMBL8984701 0.77 MAPK1 (0.50) MAPK1PYGBGAAEPHX1EPHX2
SCHEMBL20161560 0.77 NAAA (0.47) MAPK1PYGBGAAEPHX1EPHX2
Decane SCHEMBL5531250 0.77 LGALS3 (0.75) LGALS3LGALS1LGALS9LGALS8MAPK1
Decane SCHEMBL5527363 0.77 LGALS3 (0.75) LGALS3LGALS1LGALS9LGALS8MAPK1
Dodecane SCHEMBL5581486 0.77 LGALS3 (0.75) LGALS3LGALS1LGALS9LGALS8MAPK1
Dodecane SCHEMBL6726957 0.77 LGALS3 (0.75) LGALS3LGALS1LGALS9LGALS8MAPK1

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-11045411-B2 Process for treating keratin materials using amide, acid or ester c-glycoside derivatives, and cosmetic composition containing same L'OREAL (FR) 2021-06-29 US disclosed
US-20180133137-A1 PROCESS FOR TREATING KERATIN MATERIALS USING AMIDE, ACID OR ESTER C-GLYCOSIDE DERIVATIVES, AND COSMETIC COMPOSITION CONTAINING SAME L'OREAL (FR) 2018-05-17 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 (2 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-20180133137-A1 PROCESS FOR TREATING KERATIN MATERIALS USING AMIDE, ACID OR ESTER C-GLYCOSIDE DERIVATIVES, AND COSMETIC COMPOSITION CONTAINING SAME KRT18, CUTA, GLA LGALS3 403/4885LGALS1 408/4885LGALS9 567/4885
US-11045411-B2 Process for treating keratin materials using amide, acid or ester c-glycoside derivatives, and cosmetic composition containing same KRT18, CUTA, GLA LGALS3 403/4885LGALS1 408/4885LGALS9 567/4885

“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.