SCHEMBL10061883

SCHEMBL10061883

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PYGB P11216 1/20 0.39
LGALS3 P17931 3/20 0.35
LGALS8 O00214 3/20 0.35
LGALS1 P09382 2/20 0.35
LGALS9 O00182 1/20 0.35
FBP1 P09467 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
OGA O60502 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 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
SCHEMBL15890528 1.00 PYGB (0.39) PYGBLGALS3LGALS8LGALS1LGALS9
SCHEMBL15472865 1.00 PYGB (0.39) PYGBLGALS3LGALS8LGALS1LGALS9
SCHEMBL20692159 0.90 PYGB (0.46) PYGBLGALS3LGALS8LGALS1LGALS9
SCHEMBL5019779 0.90 PYGB (0.46) PYGBLGALS3LGALS8LGALS1LGALS9
SCHEMBL15343514 0.90 PYGB (0.46) PYGBLGALS3LGALS8LGALS1LGALS9
SCHEMBL14465071 0.90 PYGB (0.46) PYGBLGALS3LGALS8LGALS1LGALS9
SCHEMBL14274191 0.90 PYGB (0.46) PYGBLGALS3LGALS8LGALS1LGALS9
SCHEMBL13768389 0.88 PYGB (0.49) PYGBLGALS3LGALS8LGALS1LGALS9
SCHEMBL19255671 0.88 PYGB (0.49) PYGBLGALS3LGALS8LGALS1LGALS9
SCHEMBL14306795 0.88 PYGB (0.49) PYGBLGALS3LGALS8LGALS1LGALS9

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-10034851-B2 Metal-salen complex compound, local anesthetic and antineoplastic drug IHI CORPORATION (JP) 2018-07-31 US disclosed
US-9505732-B2 Auto magnetic metal salen complex compound IHI CORPORATION (JP) 2016-11-29 US disclosed
US-20160263074-A1 METAL-SALEN COMPLEX COMPOUND, LOCAL ANESTHETIC AND ANTINEOPLASTIC DRUG ISHIKAWA YOSHIHIRO (JP) 2016-09-15 US disclosed
US-20140206635-A1 METAL-SALEN COMPLEX COMPOUND, LOCAL ANESTHETIC AND ANTINEOPLASTIC DRUG IHI CORPORATION (JP) 2014-07-24 US disclosed
US-20120029167-A1 AUTO MAGNETIC METAL SALEN COMPLEX COMPOUND YOSHIHIRO ISHIKAWA (JP) 2012-02-02 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-20120029167-A1 AUTO MAGNETIC METAL SALEN COMPLEX COMPOUND SDHB, SDHA, SLC40A1 PYGB 855/4885LGALS3 4550/4885LGALS8 4648/4885
US-20140206635-A1 METAL-SALEN COMPLEX COMPOUND, LOCAL ANESTHETIC AND ANTINEOPLASTIC DRUG NCLN, KCNN2, NCSTN PYGB 4266/4885LGALS3 4816/4885LGALS8 4536/4885
US-10034851-B2 Metal-salen complex compound, local anesthetic and antineoplastic drug NCLN, KCNN2, NCSTN PYGB 4266/4885LGALS3 4816/4885LGALS8 4536/4885
US-20160263074-A1 METAL-SALEN COMPLEX COMPOUND, LOCAL ANESTHETIC AND ANTINEOPLASTIC DRUG NCLN, KCNN2, NCSTN PYGB 4266/4885LGALS3 4816/4885LGALS8 4536/4885

“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.