SCHEMBL20161281

SCHEMBL20161281

CCCCCCNC(=O)C(C)C1OC[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.42
EPHX1 P07099 7/20 0.41
RRM1 P23921 1/20 0.40
DPP7 Q9UHL4 2/20 0.40
TSHR P16473 1/20 0.40
METAP2 P50579 1/20 0.39
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
NAAA Q02083 2/20 0.38
EPHX2 P34913 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
SCHEMBL20161448 1.00 MMP8 (0.42) MMP8EPHX1RRM1DPP7TSHR
SCHEMBL20161683 0.78 MMP8 (0.42) MMP8EPHX1RRM1DPP7GNAI3
SCHEMBL20161420 0.78 MMP8 (0.42) MMP8EPHX1RRM1DPP7GNAI3
SCHEMBL20161921 0.76 EPHX2 (0.42) MMP8EPHX1RRM1DPP7GNAI3
SCHEMBL20161629 0.76 EPHX2 (0.42) MMP8EPHX1RRM1DPP7GNAI3
SCHEMBL20161657 0.76 EPHX2 (0.42) MMP8EPHX1RRM1DPP7GNAI3
SCHEMBL20161322 0.76 EPHX2 (0.42) MMP8EPHX1RRM1DPP7GNAI3
SCHEMBL20161932 0.76 EPHX2 (0.42) MMP8EPHX1RRM1DPP7GNAI3
SCHEMBL20161562 0.76 EPHX2 (0.42) MMP8EPHX1RRM1DPP7GNAI3
SCHEMBL21342382 0.76

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 MMP8 1132/4885EPHX1 2974/4885RRM1 843/4885
US-11045411-B2 Process for treating keratin materials using amide, acid or ester c-glycoside derivatives, and cosmetic composition containing same KRT18, CUTA, GLA MMP8 1132/4885EPHX1 2974/4885RRM1 843/4885

“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.