SCHEMBL17521207

SCHEMBL17521207

COC1OC(C(=O)O)C(OC2CC(CO)C(O)C(OC)C2NC(C)=O)C(O)C1O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BDNF P23560 3/20 0.37
▸ MDK P21741 3/20 0.37
▸ PTN P21246 2/20 0.37
▸ F10 P00742 2/20 0.35
▸ CD69 Q07108 1/20 0.34
▸ LGALS3 P17931 5/20 0.34
▸ LGALS8 O00214 3/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ LGALS1 P09382 1/20 0.33
▸ LGALS7; LGALS7B P47929 1/20 0.33
▸ LGALS4 P56470 1/20 0.33
▸ MGAM O43451 2/20 0.33
▸ SI P14410 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ LGALS9 O00182 1/20 0.32

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
SCHEMBL25599009 0.90 MAPK1 (0.34) BDNFMDKPTNCD69LGALS3
SCHEMBL13449680 0.83 MDK (0.42) BDNFMDKPTNF10CD69
SCHEMBL18079538 0.82 MDK (0.36) BDNFMDKPTNF10CD69
SCHEMBL25445487 0.82 MDK (0.36) BDNFMDKPTNF10CD69
SCHEMBL15393692 0.81 LGALS8 (0.47) BDNFMDKPTNF10CD69
SCHEMBL13209070 0.81 LGALS8 (0.47) BDNFMDKPTNF10CD69
SCHEMBL15195815 0.80 MDK (0.48) BDNFMDKPTNF10CD69
SCHEMBL14665994 0.79 LGALS3 (0.49) BDNFMDKPTNF10CD69
SCHEMBL18648838 0.78 CD69 (0.54) MDKF10CD69LGALS3LGALS8
SCHEMBL17356829 0.76 CD69 (0.45) BDNFMDKPTNF10CD69

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160045413-A1 METHODS FOR MAKING COMPOSITIONS FOR IMPROVING SKIN CONDITIONS ALLERGAN INDUSTRIE, SAS (FR) 2016-02-18 — — 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 (1 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-20160045413-A1 METHODS FOR MAKING COMPOSITIONS FOR IMPROVING SKIN CONDITIONS CUTA, KRT18, MATR3 BDNF 4071/4885MDK 2367/4885PTN 197/4885

“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.

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