SCHEMBL6358258

SCHEMBL6358258

O=C(O)CCC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.[Zn]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.62
▸ CCNB1 P14635 1/20 0.62
▸ LDHA P00338 1/20 0.45
▸ EPHX2 P34913 4/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ APP P05067 1/20 0.38
▸ PRKD3 O94806 1/20 0.37
▸ PRKCG P05129 1/20 0.37
▸ PRKCB P05771 1/20 0.37
▸ PRKCA P17252 1/20 0.37
▸ PRKCH P24723 1/20 0.37
▸ PRKCI P41743 1/20 0.37
▸ PRKCE Q02156 1/20 0.37
▸ PRKCQ Q04759 1/20 0.37
▸ PRKCZ Q05513 1/20 0.37
▸ PRKCD Q05655 1/20 0.37
▸ PRKD1 Q15139 1/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL27699682 0.99 CDK1 (0.64) CDK1CCNB1LDHAEPHX2CA2
SCHEMBL3131927 0.94 CDK1 (0.69) CDK1CCNB1LDHAEPHX2CA2
SCHEMBL26597357 0.92 CDK1 (0.56) CDK1CCNB1LDHAEPHX2CA2
SCHEMBL9621810 0.90 CDK1 (0.66) CDK1CCNB1LDHAEPHX2CA2
SCHEMBL8649826 0.90 CDK1 (0.66) CDK1CCNB1LDHAEPHX2CA2
SCHEMBL8652886 0.89 CDK1 (0.69) CDK1CCNB1LDHAEPHX2CA2
SCHEMBL11571981 0.88 CDK1 (0.61) CDK1CCNB1LDHAEPHX2CA2
SCHEMBL983823 0.88 CDK1 (0.64) CDK1CCNB1LDHAEPHX2CA2
SCHEMBL9621529 0.88 CDK1 (0.69) CDK1CCNB1LDHAEPHX2CA2
SCHEMBL3134207 0.88 CDK1 (0.72) CDK1CCNB1LDHAEPHX2CA2

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-20050272692-A1 Sucrose ester compounds useful as fungicides FARONE WILLIAM A 2005-12-08 — — 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-20050272692-A1 Sucrose ester compounds useful as fungicides ERG28, MGAM, CYP51A1 CDK1 4340/4885CCNB1 4655/4885LDHA 2087/4885

“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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