SCHEMBL7799360

SCHEMBL7799360

CCCCOC[C@H]1OC(OC)[C@@H]2OC(C)(C)O[C@H]12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
CA2 P00918 2/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
SSTR1 P30872 1/20 0.32
SSTR2 P30874 1/20 0.32
SSTR4 P31391 1/20 0.32
SSTR3 P32745 1/20 0.32
SSTR5 P35346 1/20 0.32
KMT2A Q03164 2/20 0.31
GJB2 P29033 1/20 0.31
MEN1 O00255 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
SCHEMBL7802414 0.94 ALDH1A1 (0.40) CA2CA1CA9ALDH1A1TDP1
SCHEMBL5355528 0.84 CA2 (0.37) CA2CA1CA9ALDH1A1
SCHEMBL5354914 0.84 CA2 (0.37) CA2CA1CA9ALDH1A1
SCHEMBL13415651 0.83 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1TDP1SSTR1SSTR2
SCHEMBL15468194 0.83 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1TDP1SSTR1SSTR2
SCHEMBL15959279 0.83 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1TDP1SSTR1SSTR2
SCHEMBL14387813 0.83 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1TDP1SSTR1SSTR2
SCHEMBL18313127 0.81 SMN1; SMN2 (0.38) SMN1; SMN2CA2CA1CA9ALDH1A1
SCHEMBL19352626 0.81 SMN1; SMN2 (0.38) SMN1; SMN2CA2CA1CA9ALDH1A1
SCHEMBL13452860 0.80 CA2 (0.41) CA2CA1CA9ALDH1A1

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-20010011075-A1 5'-SUBSTITUTED-RIBOFURANOSYL BENZIMIDAZOLES AS ANTIVIRAL AGENTS TOWNSEND LEROY B (US) 2001-08-02 US disclosed
US-5874413-A CYTOMEGALO VIRUS UNIVERSITY OF MICHIGAN (US) 1999-02-23 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-20010011075-A1 5'-SUBSTITUTED-RIBOFURANOSYL BENZIMIDAZOLES AS ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, IFNAR1 SMN1; SMN2 3637/4885CA2 3725/4885CA1 4050/4885

“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.