SCHEMBL13077057

SCHEMBL13077057

CC(C)COC1OC(CO)C(O)C(O[C@@H](CC2CCCCC2)C(=O)O)C1OC(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 11/20 0.57
▸ SELP P16109 8/20 0.50
▸ LGALS3 P17931 2/20 0.44
▸ LGALS9 O00182 1/20 0.44
▸ LGALS1 P09382 1/20 0.44
▸ LGALS7; LGALS7B P47929 1/20 0.44
▸ LGALS4 P56470 1/20 0.39

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
SCHEMBL12631208 0.92 SELE (0.53) SELESELPLGALS3LGALS9LGALS1
SCHEMBL12310109 0.92 SELE (0.54) SELESELPLGALS3LGALS9LGALS1
SCHEMBL12239769 0.86 SELE (0.59) SELESELPLGALS3LGALS9LGALS1
SCHEMBL14823281 0.86 SELE (0.55) SELESELPLGALS3LGALS9LGALS1
SCHEMBL8515435 0.86 SELE (0.55) SELESELPLGALS3LGALS9LGALS1
SCHEMBL8514368 0.86 SELE (0.55) SELESELPLGALS3LGALS9LGALS1
SCHEMBL8514365 0.86 SELE (0.55) SELESELPLGALS3LGALS9LGALS1
SCHEMBL13077385 0.85 SELE (0.49) SELELGALS3LGALS9LGALS1LGALS7; LGALS7B
SCHEMBL8515429 0.84 SELE (0.56) SELESELPLGALS3LGALS9LGALS1
SCHEMBL12240054 0.82 SELP (0.51) SELESELPLGALS3LGALS9LGALS1

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-20100279965-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTINS AND CXCR4 CHEMOKINE RECEPTORS GLYCOMIMETICS, INC. (US) 2010-11-04 — — 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-20100279965-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTINS AND CXCR4 CHEMOKINE RECEPTORS CXCL12, CXCR4, SELE SELE 3/4885SELP 12/4885LGALS3 663/4885

“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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