SCHEMBL14340272

SCHEMBL14340272

CC(CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C)COC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ELF3 P78545 4/20 0.43
▸ MED23 Q9ULK4 4/20 0.43
▸ FKBP1A P62942 3/20 0.42
▸ CA1 P00915 8/20 0.41
▸ CA2 P00918 8/20 0.41
▸ CA9 Q16790 8/20 0.41
▸ CA12 O43570 5/20 0.41
▸ CA14 Q9ULX7 2/20 0.40
▸ CA7 P43166 1/20 0.39

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
SCHEMBL3413680 0.68 MEN1 (0.62) —
20-Hydroxyecdysone SCHEMBL20033388 0.68 MEN1 (0.71) —
20-Hydroxyecdysone SCHEMBL6243068 0.68 MEN1 (0.71) —
20-Hydroxyecdysone SCHEMBL8193574 0.68 MEN1 (0.71) —
SCHEMBL15828111 0.67 CA9 (0.83) CA1CA2CA9CA12CA14
SCHEMBL18470198 0.66 CA9 (0.72) ELF3MED23CA1CA2CA9
SCHEMBL19818216 0.66 CA9 (0.72) FKBP1ACA1CA2CA9CA12
SCHEMBL14164948 0.66 CA9 (0.72) CA1CA2CA9CA12CA14
SCHEMBL14073670 0.66 CA9 (0.69) CA1CA2CA9CA12CA14
SCHEMBL12060571 0.66 CA9 (0.69) ELF3MED23CA1CA2CA9

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-20070292967-A1 Assay for Ligands of the Ecdysone Receptor COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH OR (AU) 2007-12-20 — — US disclosed
US-20070292967-A1 Assay for Ligands of the Ecdysone Receptor COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH OR (AU) 2007-12-20 — — 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-20070292967-A1 Assay for Ligands of the Ecdysone Receptor OR51E2, FSHR, ESRRB ELF3 2482/4885MED23 1519/4885FKBP1A 3019/4885

“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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