SCHEMBL976362

SCHEMBL976362

C/C(=C\C(=O)OC(CCCCCCCC(=O)O)C(=O)O)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.78
IARS1 P41252 1/20 0.78

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
Mupirocin SCHEMBL14022405 0.87 IARS1 (1.00) HTR2AIARS1
Mupirocin SCHEMBL1027616 0.87 IARS1 (1.00) HTR2AIARS1
Mupirocin SCHEMBL19183296 0.87 IARS1 (1.00) HTR2AIARS1
Mupirocin SCHEMBL3291 0.87 IARS1 (1.00) HTR2AIARS1
Mupirocin SCHEMBL15387505 0.87 IARS1 (1.00) HTR2AIARS1
Mupirocin SCHEMBL18998277 0.87 IARS1 (1.00) HTR2AIARS1
Mupirocin SCHEMBL15387504 0.87 IARS1 (1.00) HTR2AIARS1
Mupirocin SCHEMBL2223711 0.87 IARS1 (1.00) HTR2AIARS1
Mupirocin SCHEMBL15307512 0.87 IARS1 (1.00) HTR2AIARS1
Mupirocin SCHEMBL18995884 0.87 IARS1 (1.00) HTR2AIARS1

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-20110015413-A1 PROCESS FOR PREPARING CRYSTALLINE CALCIUM MUPIROCIN DIHYDRATE DEFTERDAROVIC NAFIS 2011-01-20 US disclosed
WO-2009092991-A1 PROCESS FOR PREPARING CRYSTALLINE CALCIUM MUPIROCIN DIHYDRATE PLIVA HRVATSKA D.O.O. (HR) 2009-07-30 WO 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-20110015413-A1 PROCESS FOR PREPARING CRYSTALLINE CALCIUM MUPIROCIN DIHYDRATE CACYBP, CAPRIN1, PRCP HTR2A 3039/4885IARS1 4569/4885

“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.