SCHEMBL20161560

SCHEMBL20161560

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.47
PYGB P11216 3/20 0.47
CASP2 P42575 1/20 0.46
GAA P10253 1/20 0.46
FUCA1 P04066 1/20 0.45
MAPK1 P28482 1/20 0.44
EPHX1 P07099 4/20 0.42
EPHX2 P34913 1/20 0.42
FAAH O00519 1/20 0.41
GJB2 P29033 1/20 0.41

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
SCHEMBL20161323 1.00 NAAA (0.47) NAAAPYGBCASP2GAAFUCA1
SCHEMBL21302824 0.99 NAAA (0.49) NAAAPYGBCASP2GAAFUCA1
SCHEMBL21302827 0.99 NAAA (0.49) NAAAPYGBCASP2GAAFUCA1
SCHEMBL20161703 0.88 PYGB (0.51) PYGBGAAFUCA1
SCHEMBL29025353 0.82 FUCA1 (0.49) NAAAPYGBCASP2GAAFUCA1
Hydrogen Sulfide SCHEMBL6886073 0.80 PYGB (0.47) PYGBGAA
Dextrose SCHEMBL8984701 0.80 MAPK1 (0.50) NAAAPYGBGAAMAPK1EPHX1
SCHEMBL2305282 0.78 PYGB (0.47) PYGBGAAMAPK1GJB2
SCHEMBL3878575 0.78 PYGB (0.47) PYGBGAAMAPK1GJB2
SCHEMBL19692099 0.77 EPHX2 (0.43) NAAAPYGBCASP2GAAMAPK1

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 NAAA 232/4885PYGB 3409/4885CASP2 4438/4885
US-11045411-B2 Process for treating keratin materials using amide, acid or ester c-glycoside derivatives, and cosmetic composition containing same KRT18, CUTA, GLA NAAA 232/4885PYGB 3409/4885CASP2 4438/4885

“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.