SCHEMBL26429215

SCHEMBL26429215

CC(=O)OC1[C@H](C)OC(C)[C@@H](C)[C@@H]1C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 8/20 0.45
▸ CA12 O43570 7/20 0.45
▸ CA2 P00918 7/20 0.45
▸ CA1 P00915 6/20 0.45
▸ TSHR P16473 2/20 0.41
▸ OGA O60502 1/20 0.35
▸ CYP2D6 P10635 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ NR3C1 P04150 1/20 0.31
▸ FYN P06241 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL26429205 1.00 CA9 (0.45) CA9CA12CA2CA1TSHR
SCHEMBL20806262 0.91 CA9 (0.47) CA9CA12CA2CA1TSHR
SCHEMBL21128508 0.91 CA9 (0.47) CA9CA12CA2CA1TSHR
SCHEMBL19798062 0.89 CA9 (0.50) CA9CA12CA2CA1TSHR
SCHEMBL24024779 0.84 CA9 (0.58) CA9CA12CA2CA1TSHR
SCHEMBL22677696 0.84 CA9 (0.58) CA9CA12CA2CA1TSHR
SCHEMBL19646612 0.84 CA9 (0.58) CA9CA12CA2CA1TSHR
SCHEMBL13129842 0.84 CA9 (0.58) CA9CA12CA2CA1TSHR
SCHEMBL18898852 0.84 CA9 (0.58) CA9CA12CA2CA1TSHR
SCHEMBL19806807 0.84 CA9 (0.58) CA9CA12CA2CA1TSHR

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-20230132332-A1 Green Methods of Carbohydrate Acetylation UNITED STATES DEPARTMENT OF ENERGY 2023-04-27 — — 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-20230132332-A1 Green Methods of Carbohydrate Acetylation PUF60, HDAC10, NAT10 CA9 92/4885CA12 18/4885CA2 529/4885

“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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