SCHEMBL21964495

SCHEMBL21964495

CC(C)(C)CCCC1OC(CO)C(O)C(O)C1O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.41
LGALS1 P09382 2/20 0.41
LGALS3 P17931 2/20 0.41
LGALS9 O00182 1/20 0.41
LGALS8 O00214 1/20 0.41
PYGB P11216 7/20 0.40
GAA P10253 1/20 0.40
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38

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
SCHEMBL16640753 1.00 L3MBTL1 (0.42) L3MBTL1MAPTLGALS1LGALS3LGALS9
SCHEMBL16640749 1.00 L3MBTL1 (0.42) L3MBTL1MAPTLGALS1LGALS3LGALS9
SCHEMBL13384038 0.89 L3MBTL1 (0.45) L3MBTL1MAPTLGALS1LGALS3LGALS9
SCHEMBL15820474 0.82 LGALS1 (0.52) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL15820472 0.82 LGALS1 (0.52) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL16640754 0.81 FUCA1 (0.38)
SCHEMBL18251216 0.80 L3MBTL1 (0.47) L3MBTL1MAPTLGALS1LGALS3LGALS9
SCHEMBL23848882 0.79 GBA1 (0.46) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL14028866 0.79 GBA1 (0.46) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL8347365 0.79 GBA1 (0.46) LGALS1LGALS3LGALS9LGALS8PYGB

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-10632135-B2 Orally available compounds, a process for preparing the same and their uses as anti-adhesive drugs for treating E. coli induced inflammatory bowel diseases such as crohn's disease CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-04-28 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-10632135-B2 Orally available compounds, a process for preparing the same and their uses as anti-adhesive drugs for treating E. coli induced inflammatory bowel diseases such as crohn's disease ICAM1, VCAM1, EPCAM L3MBTL1 4499/4885MAPT 1300/4885LGALS1 2359/4885

“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.