SCHEMBL125944

SCHEMBL125944

CCC1O[C@H](COC[C@@H]2C(CO)O[C@H](COC[C@@H]3C(CO)O[C@H](COC)C(O)[C@@H]3O)C(O)[C@@H]2O)C(O)[C@H](O)[C@@H]1O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.37
PYGB P11216 2/20 0.34
OGA O60502 1/20 0.33
SLC6A2 P23975 1/20 0.32
GAA P10253 2/20 0.31
LGALS1 P09382 2/20 0.31
LGALS3 P17931 2/20 0.31
LGALS9 O00182 1/20 0.31
LGALS8 O00214 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FBP1 P09467 1/20 0.30
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA9 Q16790 2/20 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
SCHEMBL14296411 0.95 CA2 (0.35) CA2PYGBOGASLC6A2FBP1
SCHEMBL16675113 0.95 CA2 (0.35) CA2PYGBOGASLC6A2FBP1
SCHEMBL14338482 0.95 CA2 (0.35) CA2PYGBOGASLC6A2FBP1
SCHEMBL14644931 0.94 CA2 (0.40) CA2PYGBOGASLC6A2GAA
SCHEMBL14197413 0.93 CA2 (0.35) CA2PYGBOGASLC6A2FBP1
SCHEMBL22130784 0.93 CA2 (0.35) CA2PYGBOGASLC6A2FBP1
SCHEMBL12834727 0.93 CA2 (0.35) CA2PYGBOGASLC6A2FBP1
SCHEMBL12761989 0.93 CA2 (0.35) CA2PYGBOGASLC6A2FBP1
SCHEMBL14185961 0.93 CA2 (0.35) CA2PYGBOGASLC6A2FBP1
SCHEMBL13292758 0.93 CA2 (0.35) CA2PYGBOGASLC6A2FBP1

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-9072782-B2 Gadolinium complex, method for preparing same, and MRI contrast agent comprising same CATHLOIC UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION (KR) 2015-07-07 US disclosed
US-20120058054-A1 GADOLINIUM COMPLEX, METHOD FOR PREPARING SAME, AND MRI CONTRAST AGENT COMPRISING SAME Catholic University Industry Academic Cooperation Foundation (KR) 2012-03-08 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-20120058054-A1 GADOLINIUM COMPLEX, METHOD FOR PREPARING SAME, AND MRI CONTRAST AGENT COMPRISING SAME GMNN, FABP1, GOT1 CA2 1913/4885PYGB 865/4885OGA 460/4885

“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.