SCHEMBL20161449

SCHEMBL20161449

CCCCCCCCCCCCCCNC(=O)CC1OC[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.46
NAAA Q02083 2/20 0.44
EPHX2 P34913 1/20 0.43
EPHX1 P07099 6/20 0.42
FUCA1 P04066 1/20 0.42
FAAH O00519 1/20 0.41
BCHE P06276 1/20 0.40
SPHK2 Q9NRA0 3/20 0.40
SPHK1 Q9NYA1 3/20 0.40

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
SCHEMBL20161711 0.88 BCHE (0.43) EPHX2EPHX1FUCA1BCHESPHK2
SCHEMBL21302824 0.78 NAAA (0.49) CASP2NAAAEPHX1FUCA1FAAH
SCHEMBL21302827 0.78 NAAA (0.49) CASP2NAAAEPHX1FUCA1FAAH
SCHEMBL20161323 0.77 NAAA (0.47) CASP2NAAAEPHX2EPHX1FUCA1
SCHEMBL20161560 0.77 NAAA (0.47) CASP2NAAAEPHX2EPHX1FUCA1
SCHEMBL21342122 0.75 THRB (0.33)
SCHEMBL18214231 0.74 GBA2 (0.48) NAAAFAAHSPHK2SPHK1
SCHEMBL20161280 0.73 EPHX1 (0.41) EPHX2EPHX1
SCHEMBL11241003 0.73 SPHK2 (0.69) SPHK2SPHK1
SCHEMBL11114512 0.73 SPHK2 (0.69) SPHK2SPHK1

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 CASP2 4438/4885NAAA 232/4885EPHX2 1855/4885
US-11045411-B2 Process for treating keratin materials using amide, acid or ester c-glycoside derivatives, and cosmetic composition containing same KRT18, CUTA, GLA CASP2 4438/4885NAAA 232/4885EPHX2 1855/4885

“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.