SCHEMBL14514181

SCHEMBL14514181

CC[C@H]1OC(=O)C(C)=C(O[C@@H]2O[C@H](COOOOOOOOOOOOOOOOOO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC5A1 P13866 2/20 0.33
▸ SLC5A2 P31639 2/20 0.33
▸ RPS6KA3 P51812 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL14514182 0.90 XDH (0.33) ALDH1A1MEN1KMT2A
SCHEMBL14514190 0.82 ALDH1A1 (0.45) SLC5A2ALDH1A1MEN1KMT2A
SCHEMBL14514176 0.82 ALDH1A1 (0.45) SLC5A2ALDH1A1MEN1KMT2A
SCHEMBL14514178 0.71 ALDH1A1 (0.46) SLC5A2ALDH1A1MEN1KMT2A
SCHEMBL14514189 0.71 ALDH1A1 (0.46) SLC5A2ALDH1A1MEN1KMT2A
SCHEMBL14514183 0.69 KMT2A (0.47) ALDH1A1MEN1KMT2A
SCHEMBL14514179 0.60 ALDH1A1 (0.45) SLC5A2ALDH1A1MEN1KMT2A
SCHEMBL14514177 0.59 ALDH1A1 (0.49) SLC5A2ALDH1A1MEN1KMT2A
SCHEMBL14539199 0.59 MAPT (0.31) —
SCHEMBL14539205 0.59 ALDH1A1 (0.43) SLC5A2ALDH1A1MEN1KMT2A

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-20070111952-A1 Glycosylated triketide delta lactones UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2007-05-17 — — 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-20070111952-A1 Glycosylated triketide delta lactones AGL, AKR1C3, AKR1C4 SLC5A1 442/4885SLC5A2 660/4885RPS6KA3 221/4885

“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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