SCHEMBL21549585

SCHEMBL21549585

CC(=O)O[C@@H]1OC([C@@H]2COC3(CCCCC3)O2)[C@H]2OC3(CCCCC3)O[C@H]2[C@H]1OC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.36
▸ OGA O60502 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL12855648 0.81 CA2 (0.36) CA2POLBGAAMAPK1NPSR1
SCHEMBL12855649 0.81 CA2 (0.36) CA2POLBGAAMAPK1NPSR1
SCHEMBL328617 0.79 CA2 (0.35) CA2
SCHEMBL12855647 0.79 CA2 (0.35) CA2
SCHEMBL10821377 0.79 CA2 (0.39) CA2POLBGAAMAPK1NPSR1
SCHEMBL22778888 0.77 CA2 (0.32) CA2
SCHEMBL19479799 0.77 POLB (0.33) CA2POLBGAAMAPK1NPSR1
SCHEMBL988652 0.77 POLB (0.33) CA2POLBGAAMAPK1NPSR1
SCHEMBL19479801 0.77 POLB (0.33) CA2POLBGAAMAPK1NPSR1
SCHEMBL12855572 0.77 CA2 (0.33) CA2

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-10865212-B2 Intermediate for preparing eribulin mesylate and process for preparing the same YONSUNG FINE CHEMICAL CO.. LTD. (KR) 2020-12-15 — — US disclosed
US-20190337964-A1 INTERMEDIATE FOR PREPARING ERIBULIN MESYLATE AND PROCESS FOR PREPARING THE SAME YONSUNG FINE CHEMICAL CO., LTD. (KR) 2019-11-07 — — 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-20190337964-A1 INTERMEDIATE FOR PREPARING ERIBULIN MESYLATE AND PROCESS FOR PREPARING THE SAME ERLIN1, DHPS, ERLIN2 CA2 4239/4885OGA 2509/4885POLB 2337/4885
US-10865212-B2 Intermediate for preparing eribulin mesylate and process for preparing the same ERLIN1, DHPS, ERLIN2 CA2 4239/4885OGA 2509/4885POLB 2337/4885

“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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