SCHEMBL19090953

SCHEMBL19090953

OCC1OC(OCC(COC2OC(CO)[C@@H](O)[C@H](O)[C@@H]2O)NI)[C@@H](O)[C@H](O)[C@@H]1O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.49
▸ CETP P11597 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TYR P14679 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ LGALS8 O00214 1/20 0.42
▸ LGALS3 P17931 1/20 0.42
▸ LGALS4 P56470 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ CCNB1 P14635 1/20 0.41

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
SCHEMBL19080623 0.85 GAA (0.48) GAACETPL3MBTL1MAPT
SCHEMBL27416375 0.85 GAA (0.48) GAACETPL3MBTL1MAPT
SCHEMBL19090958 0.83 GAA (0.46) GAACETPL3MBTL1TYRMAPT
SCHEMBL21211618 0.82 GAA (0.54) GAACETPL3MBTL1TYRMAPT
SCHEMBL3791015 0.82 GAA (0.54) GAACETPL3MBTL1TYRMAPT
SCHEMBL8508353 0.82 GAA (0.54) GAACETPL3MBTL1TYRMAPT
SCHEMBL8812577 0.82 GAA (0.54) GAACETPL3MBTL1TYRMAPT
SCHEMBL25416868 0.81 SELL (0.44) GAACETP
SCHEMBL14477411 0.80 ALDH1A1 (0.46) GAALGALS8LGALS3LGALS4
SCHEMBL12338088 0.80 ALDH1A1 (0.46) GAALGALS8LGALS3LGALS4

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-10246478-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2019-04-02 — — US disclosed
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 — — 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 (2 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-20170190729-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 GAA 448/4885CETP 124/4885L3MBTL1 2440/4885
US-10246478-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 GAA 448/4885CETP 124/4885L3MBTL1 2440/4885

“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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