SCHEMBL20180862

SCHEMBL20180862

CCCC(C)C1OC(CO)C(O)C(O)C1O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PYGB P11216 3/20 0.41
LGALS1 P09382 2/20 0.40
LGALS3 P17931 2/20 0.40
LGALS9 O00182 1/20 0.40
LGALS8 O00214 1/20 0.40
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.35
OGA O60502 1/20 0.35
ALDH1A1 P00352 3/20 0.35
THRB P10828 1/20 0.35
MAPT P10636 1/20 0.34
TYR P14679 2/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL14783108 0.88 PRKD3 (0.40) GAA
SCHEMBL14783109 0.88 PRKD3 (0.40) GAA
SCHEMBL26304331 0.85 LGALS1 (0.42) PYGBLGALS1LGALS3LGALS9LGALS8
SCHEMBL18884178 0.85 LGALS1 (0.42) PYGBLGALS1LGALS3LGALS9LGALS8
SCHEMBL21391580 0.85 LGALS1 (0.42) PYGBLGALS1LGALS3LGALS9LGALS8
SCHEMBL24443605 0.85 LGALS1 (0.42) PYGBLGALS1LGALS3LGALS9LGALS8
SCHEMBL12672708 0.85 LGALS1 (0.42) PYGBLGALS1LGALS3LGALS9LGALS8
SCHEMBL23030291 0.85 PYGB (0.35) PYGBLGALS1LGALS3LGALS9LGALS8
SCHEMBL18022194 0.83 LGALS1 (0.38) PYGBLGALS1LGALS3LGALS9LGALS8
SCHEMBL28578027 0.82 OGA (0.43) PYGBLGALS1LGALS3LGALS9LGALS8

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11540539-B2 Reduced sodium food products GENERAL MILLS, INC. (US) 2023-01-03 US disclosed
US-20220047725-A1 CHEMILUMINESCENT PROBES FOR DIAGNOSTICS AND IN VIVO IMAGING RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2022-02-17 US disclosed
US-10570104-B2 Metabolically programmed metal chelators and uses thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2020-02-25 US disclosed
US-10010535-B2 Desferrithiocin analogs and uses thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-07-03 US disclosed
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 (4 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-10570104-B2 Metabolically programmed metal chelators and uses thereof FECH, SLC19A1, SLC40A1 PYGB 444/4885LGALS1 3977/4885LGALS3 4453/4885
US-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF FECH, SLC19A1, SLC40A1 PYGB 444/4885LGALS1 3977/4885LGALS3 4453/4885
US-20220047725-A1 CHEMILUMINESCENT PROBES FOR DIAGNOSTICS AND IN VIVO IMAGING DAXX, DCAF15, CDY1; CDY1B PYGB 996/4885LGALS1 273/4885LGALS3 147/4885
US-10010535-B2 Desferrithiocin analogs and uses thereof FECH, TFRC, FTH1 PYGB 1233/4885LGALS1 2325/4885LGALS3 2758/4885

“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.