SCHEMBL17880706

SCHEMBL17880706

CCC1O[C@@H](Oc2ccc(OC)cc2)C(OC(=O)c2ccccc2)[C@@H](C)[C@@H]1O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.45
▸ LGALS9 O00182 2/20 0.42
▸ LGALS1 P09382 2/20 0.42
▸ LGALS3 P17931 2/20 0.42
▸ LGALS7; LGALS7B P47929 2/20 0.42
▸ LGALS8 O00214 2/20 0.41
▸ SELP P16109 2/20 0.38
▸ CES2 O00748 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ SLC5A1 P13866 2/20 0.37
▸ SLC5A2 P31639 2/20 0.37

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
SCHEMBL17880710 0.92 LGALS3 (0.52) PTPN1LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL23121472 0.83 LGALS9 (0.51) PTPN1LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL21045068 0.81 PTPN1 (0.49) PTPN1LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL12870306 0.80 GAPDH (0.47) PTPN1
SCHEMBL15483275 0.79 LGALS3 (0.50) PTPN1LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL16689629 0.79 TDP1 (0.49) PTPN1LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL17766500 0.79 GAPDH (0.49) PTPN1LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL16673453 0.79 TDP1 (0.49) PTPN1LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL18022557 0.79 TDP1 (0.49) PTPN1LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL16673452 0.79 TDP1 (0.49) PTPN1LGALS9LGALS1LGALS3LGALS7; LGALS7B

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-20160185881-A1 Oligosaccharide Compounds CALLAGHAN INNOVATION RESEARCH LIMITED (NZ) 2016-06-30 — — 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-20160185881-A1 Oligosaccharide Compounds BACE1, BACE2, ENGASE PTPN1 2791/4885LGALS9 236/4885LGALS1 152/4885

“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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