SCHEMBL14428890

SCHEMBL14428890

COC1OC(CO)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ LGALS8 O00214 2/20 0.47
▸ BCHE P06276 1/20 0.46
▸ CA2 P00918 7/20 0.43
▸ CA1 P00915 6/20 0.43
▸ CA12 O43570 5/20 0.43
▸ CA4 P22748 4/20 0.43
▸ CA5A P35218 4/20 0.43
▸ CA5B Q9Y2D0 4/20 0.43
▸ CA7 P43166 3/20 0.43
▸ MMP9 P14780 1/20 0.42
▸ MMP12 P39900 1/20 0.42
▸ F10 P00742 1/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA14 Q9ULX7 2/20 0.39
▸ TSHR P16473 1/20 0.38
▸ NR3C1 P04150 1/20 0.38
▸ FYN P06241 1/20 0.38

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
SCHEMBL1703880 1.00 CYP2D6 (0.49) CYP2D6THRBHSD17B10LGALS8BCHE
SCHEMBL13387463 1.00 CYP2D6 (0.49) CYP2D6THRBHSD17B10LGALS8BCHE
SCHEMBL22034630 1.00 CYP2D6 (0.49) CYP2D6THRBHSD17B10LGALS8BCHE
SCHEMBL11327904 1.00 CYP2D6 (0.49) CYP2D6THRBHSD17B10LGALS8BCHE
SCHEMBL314061 0.89 CYP2D6 (0.51) CYP2D6THRBHSD17B10LGALS8CA2
SCHEMBL8089407 0.89 CYP2D6 (0.51) CYP2D6THRBHSD17B10LGALS8CA2
SCHEMBL13928976 0.89 CYP2D6 (0.51) CYP2D6THRBHSD17B10LGALS8CA2
SCHEMBL314060 0.89 CYP2D6 (0.51) CYP2D6THRBHSD17B10LGALS8CA2
SCHEMBL3972810 0.89 CYP2D6 (0.51) CYP2D6THRBHSD17B10LGALS8CA2
SCHEMBL6230386 0.89 CYP2D6 (0.51) CYP2D6THRBHSD17B10LGALS8CA2

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-20070185063-A1 Seven-membered ring nucleosides IDENIX PHARMACEUTICALS, INC. 2007-08-09 — — 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-20070185063-A1 Seven-membered ring nucleosides NSUN2, NSUN3, HAVCR2 CYP2D6 1720/4885THRB 4696/4885HSD17B10 2101/4885

“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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