SCHEMBL10018116

SCHEMBL10018116

CO[C@@H]1[C@H]2OC(C)(C)O[C@H]2OC[C@H]1OC

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35

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
SCHEMBL8005871 0.87 CA1 (0.31) CA1CA2CA9
SCHEMBL7150713 0.84 CA2 (0.33) CA1CA2CA9
SCHEMBL21368771 0.78 — —
SCHEMBL10049628 0.78 — —
SCHEMBL22073985 0.74 CA2 (0.49) CA1CA2CA9
SCHEMBL10018134 0.72 CA1 (0.36) CA1CA2CA9
SCHEMBL18610988 0.69 CA2 (0.38) CA1CA2CA9
SCHEMBL15084837 0.69 CA2 (0.38) CA1CA2CA9
SCHEMBL19185915 0.69 BCHE (0.38) CA1CA2CA9
SCHEMBL13365644 0.69 BCHE (0.38) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11680078-B2 Anticancer compounds GODAVARI BIOREFINERIES LTD. (IN) 2023-06-20 — — US disclosed
US-8957230-B2 Synthesis of cleistanthin A and derivatives thereof GODAVARI BIOREFINERIES LIMITED (IN) 2015-02-17 — — US disclosed
US-20120029179-A1 PROCESS FOR THE SYNTHESIS OF CLEISTANTHIN GODAVARI BIOREFINERIES LTD. 2012-02-02 — — 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-11680078-B2 Anticancer compounds MKI67, CCNI, API5 CA1 2689/4885CA2 2618/4885CA9 579/4885
US-20120029179-A1 PROCESS FOR THE SYNTHESIS OF CLEISTANTHIN SRM, DCXR, CRAT CA1 546/4885CA2 325/4885CA9 295/4885

“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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