SCHEMBL20161941

SCHEMBL20161941

CCOC(=O)CC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PYGB P11216 3/20 0.45
GAA P10253 1/20 0.45
CA12 O43570 10/20 0.43
CA9 Q16790 10/20 0.43
CA1 P00915 9/20 0.43
CA2 P00918 6/20 0.43
CA4 P22748 4/20 0.43
CA5A P35218 4/20 0.43
CA7 P43166 4/20 0.43
CA13 Q8N1Q1 3/20 0.43
CA14 Q9ULX7 2/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
SELP P16109 1/20 0.42

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
SCHEMBL20161572 1.00 PYGB (0.45) PYGBGAACA12CA9CA1
SCHEMBL21391520 0.84 PYGB (0.40) PYGBGAACA12CA9CA1
SCHEMBL21391551 0.84 PYGB (0.40) PYGBGAACA12CA9CA1
SCHEMBL22906178 0.84 PYGB (0.40) PYGBGAACA12CA9CA1
SCHEMBL22906121 0.84 PYGB (0.40) PYGBGAACA12CA9CA1
SCHEMBL20161669 0.83 GAA (0.38) PYGBGAACA12CA9CA2
SCHEMBL20161705 0.82 MAPK1 (0.50)
SCHEMBL20161949 0.82 MAPK1 (0.50)
SCHEMBL2125891 0.81 PYGB (0.41) PYGBGAACA12CA9CA1
SCHEMBL20161950 0.81 PYGB (0.41) PYGBGAACA12CA9CA1

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 PYGB 3409/4885GAA 271/4885CA12 174/4885
US-11045411-B2 Process for treating keratin materials using amide, acid or ester c-glycoside derivatives, and cosmetic composition containing same KRT18, CUTA, GLA PYGB 3409/4885GAA 271/4885CA12 174/4885

“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.