SCHEMBL25758875

SCHEMBL25758875

CC(=O)O[C@H]1C=CC(O[Si](C)(C)C(C)(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.35
CA9 Q16790 4/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
PREP P48147 1/20 0.33
CYP3A4 P08684 1/20 0.31
ACHE P22303 1/20 0.31
TSHR P16473 1/20 0.31
PPM1D O15297 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
SCHEMBL6772886 1.00 CA12 (0.35) CA12CA9CA1CA2PREP
SCHEMBL25758895 1.00 CA12 (0.35) CA12CA9CA1CA2PREP
SCHEMBL7659117 1.00 CA12 (0.35) CA12CA9CA1CA2PREP
SCHEMBL11548963 1.00 CA12 (0.35) CA12CA9CA1CA2PREP
SCHEMBL7441811 1.00 CA12 (0.35) CA12CA9CA1CA2PREP
SCHEMBL14440399 1.00 CA12 (0.35) CA12CA9CA1CA2PREP
SCHEMBL14440425 1.00 CA12 (0.35) CA12CA9CA1CA2PREP
SCHEMBL7679245 0.87 CA12 (0.35) CA12CA9CA1CA2PREP
SCHEMBL6772879 0.84
SCHEMBL17694215 0.84 CA12 (0.34) CA12CA9CA1CA2PREP

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-20230174477-A1 METHODS FOR SYNTHESIS OF THE TRICYCLIC PROSTAGLANDIN D2 METABOLITE METHYL ESTER PURDUE RESEARCH FOUNDATION 2023-06-08 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-20230174477-A1 METHODS FOR SYNTHESIS OF THE TRICYCLIC PROSTAGLANDIN D2 METABOLITE METHYL ESTER PTGES2, PTGDR2, PTGES CA12 1162/4885CA9 2746/4885CA1 1990/4885

“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.