SCHEMBL25845030

SCHEMBL25845030

COc1ccc(CO[C@H]2O[C@H]([C@H]3COC(C)(C)O3)[C@H]3OC(C)(C)OC23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ NAAA Q02083 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ IDO1 P14902 2/20 0.33
▸ AGXT P21549 2/20 0.33
▸ MMP1 P03956 2/20 0.32
▸ MMP3 P08254 2/20 0.32
▸ MMP9 P14780 2/20 0.32
▸ ADAM17 P78536 2/20 0.32
▸ REN P00797 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL10586638 0.87 CA1 (0.36) CA1CA2CA9L3MBTL1MAPT
SCHEMBL10574146 0.87 CA1 (0.36) CA1CA2CA9L3MBTL1MAPT
SCHEMBL13933149 0.87 CA1 (0.36) CA1CA2CA9L3MBTL1MAPT
SCHEMBL30380734 0.87 CA1 (0.36) CA1CA2CA9L3MBTL1MAPT
SCHEMBL10892517 0.82 CA1 (0.50) CA1CA2CA9GLANPSR1
SCHEMBL6269456 0.81 CYP3A4 (0.42) L3MBTL1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL15890505 0.79 L3MBTL1 (0.40) CA1CA2CA9L3MBTL1MAPT
SCHEMBL16404640 0.78 KMT2A (0.36) CA1CA2CA9GLANPSR1
SCHEMBL4597107 0.78 DRD2 (0.46) MEN1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL7145333 0.77 CA2 (0.45) CA1CA2CA9

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-11707519-B2 Phosphorylated heptose compounds: process for their preparation and use UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND (IE) 2023-07-25 — — 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-11707519-B2 Phosphorylated heptose compounds: process for their preparation and use PPP6C, G6PD, PFKFB1 CA1 1487/4885CA2 2327/4885CA9 2803/4885

“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.

Send feedback