SCHEMBL20175904

SCHEMBL20175904

CC(C)[C@H]1OC(CO)[C@H](O)[C@H](O)C1O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LGALS1 P09382 2/20 0.47
LGALS3 P17931 2/20 0.47
LGALS9 O00182 1/20 0.47
LGALS8 O00214 1/20 0.47
PYGB P11216 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.42
GAA P10253 2/20 0.41
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
THRB P10828 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
SCHEMBL11953925 1.00 LGALS1 (0.47) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL14464805 1.00 LGALS1 (0.47) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL20175908 1.00 LGALS1 (0.47) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL15297986 1.00 LGALS1 (0.47) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL14025373 1.00 LGALS1 (0.47) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL23640046 1.00 LGALS1 (0.47) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL14025369 1.00 LGALS1 (0.47) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL16641892 1.00 LGALS1 (0.47) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL21339944 1.00 LGALS1 (0.47) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL11953939 1.00 LGALS1 (0.47) 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-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-05-24 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-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF FECH, SLC19A1, SLC40A1 LGALS1 3977/4885LGALS3 4453/4885LGALS9 3026/4885

“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.