SCHEMBL13968092

SCHEMBL13968092

CC(=O)NC1C(C(C)C)OC(CO)C(O)C1OC(C)C

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.62
▸ ALDH1A1 P00352 2/20 0.53
▸ THRB P10828 1/20 0.53
▸ NOD2 Q9HC29 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CD69 Q07108 1/20 0.41
▸ LGALS8 O00214 2/20 0.39
▸ LGALS3 P17931 1/20 0.39
▸ LGALS4 P56470 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ PYGB P11216 1/20 0.38
▸ MMP12 P39900 1/20 0.37

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
SCHEMBL791244 0.88 MAPK1 (0.79) MAPK1ALDH1A1THRBNOD2SMN1; SMN2
SCHEMBL20235169 0.84 MAPK1 (0.49) MAPK1ALDH1A1THRBNOD2SMN1; SMN2
SCHEMBL18102361 0.84 ALDH1A1 (0.63) MAPK1ALDH1A1THRBSMN1; SMN2CD69
SCHEMBL22311649 0.84 ALDH1A1 (0.63) MAPK1ALDH1A1THRBSMN1; SMN2CD69
SCHEMBL9914082 0.84 ALDH1A1 (0.63) MAPK1ALDH1A1THRBSMN1; SMN2CD69
SCHEMBL18708293 0.84 ALDH1A1 (0.63) MAPK1ALDH1A1THRBSMN1; SMN2CD69
SCHEMBL22311199 0.84 ALDH1A1 (0.63) MAPK1ALDH1A1THRBSMN1; SMN2CD69
SCHEMBL22311210 0.84 ALDH1A1 (0.63) MAPK1ALDH1A1THRBSMN1; SMN2CD69
SCHEMBL14025370 0.84 ALDH1A1 (0.63) MAPK1ALDH1A1THRBSMN1; SMN2CD69
SCHEMBL11946954 0.84 ALDH1A1 (0.63) MAPK1ALDH1A1THRBSMN1; SMN2CD69

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-20120295890-A1 GLYCOSAMINOGLYCAN INHIBITORS Zacharon Pharmaceutical, Inc. (US) 2012-11-22 — — 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-20120295890-A1 GLYCOSAMINOGLYCAN INHIBITORS CSGALNACT1, FUT5, ST3GAL3 MAPK1 1393/4885ALDH1A1 797/4885THRB 1644/4885

“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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