SCHEMBL20340506

SCHEMBL20340506

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

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
SCHEMBL14191378 1.00 LGALS1 (0.47) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL14191382 1.00 LGALS1 (0.47) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL14025371 1.00 LGALS1 (0.47) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL14278435 1.00 LGALS1 (0.47) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL10176794 1.00 LGALS1 (0.47) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL12221718 1.00 LGALS1 (0.47) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL23640046 1.00 LGALS1 (0.47) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL9914077 1.00 LGALS1 (0.47) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL21339944 1.00 LGALS1 (0.47) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL12242433 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220409650-A1 COMPOSITIONS AND METHODS FOR ASCAROSIDE MODIFICATION OF MAMMALIAN MICROBIOTA HOLOCLARA INC (US) 2022-12-29 — — US disclosed
US-10010535-B2 Desferrithiocin analogs and uses thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-07-03 — — 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 (2 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-20220409650-A1 COMPOSITIONS AND METHODS FOR ASCAROSIDE MODIFICATION OF MAMMALIAN MICROBIOTA SI, FABP2, ALPI LGALS1 195/4885LGALS3 164/4885LGALS9 601/4885
US-10010535-B2 Desferrithiocin analogs and uses thereof FECH, TFRC, FTH1 LGALS1 2325/4885LGALS3 2758/4885LGALS9 2460/4885

“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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