SCHEMBL19085442

SCHEMBL19085442

CC(C)OC1C(O)C(CO)OC(COCC2C(C(=O)O)OC(COCC3C(CO)OC(COCC4C(C)OC(CC(C)(C)C)C(O)C4O)C(O)C3O)C(O)C2O)C1O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.32
▸ SELE P16581 1/20 0.30

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
SCHEMBL19823488 0.90 MAPK1 (0.33) MAPK1SELE
SCHEMBL10185805 0.81 LGALS8 (0.33) —
SCHEMBL13598327 0.75 LGALS3 (0.31) —
SCHEMBL14270421 0.74 — —
SCHEMBL16687520 0.72 LGALS3 (0.39) —
SCHEMBL13827606 0.70 LGALS3 (0.33) —
SCHEMBL13820244 0.70 LGALS3 (0.33) —
SCHEMBL13199410 0.70 OGA (0.33) —
SCHEMBL15468823 0.69 CA2 (0.39) —
SCHEMBL9973536 0.69 CA2 (0.39) —

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-20170189333-A1 Aqueous gel composition and its use UNIVERSITY OF COPENHAGEN (DK) 2017-07-06 — — 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-20170189333-A1 Aqueous gel composition and its use TAS2R40, CD44, TAS2R50 MAPK1 2537/4885SELE 121/4885

“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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