SCHEMBL2736530

SCHEMBL2736530

COC(=O)C1O[C@@H](OC(C)=O)C(OC(C)=O)C(OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 13/20 0.60
▸ CA2 P00918 13/20 0.60
▸ CA1 P00915 12/20 0.60
▸ CA12 O43570 11/20 0.60
▸ OGA O60502 1/20 0.44
▸ CYP2D6 P10635 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CA14 Q9ULX7 2/20 0.37
▸ PTPN1 P18031 3/20 0.35
▸ PAX8 Q06710 1/20 0.32

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
SCHEMBL25783041 1.00 CA9 (0.60) CA9CA2CA1CA12OGA
SCHEMBL15247399 1.00 CA9 (0.60) CA9CA2CA1CA12OGA
SCHEMBL12935270 1.00 CA9 (0.60) CA9CA2CA1CA12OGA
SCHEMBL25721435 1.00 CA9 (0.60) CA9CA2CA1CA12OGA
SCHEMBL13464528 1.00 CA9 (0.60) CA9CA2CA1CA12OGA
SCHEMBL7146506 1.00 CA9 (0.60) CA9CA2CA1CA12OGA
SCHEMBL2723141 1.00 CA9 (0.60) CA9CA2CA1CA12OGA
SCHEMBL185606 1.00 CA9 (0.60) CA9CA2CA1CA12OGA
SCHEMBL18391019 1.00 CA9 (0.60) CA9CA2CA1CA12OGA
SCHEMBL14923179 1.00 CA9 (0.60) CA9CA2CA1CA12OGA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170204444-A9 CHEMOENZYMATIC SYNTHESIS OF HEPARIN AND HEPARAN SULFATE ANALOGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-07-20 — — US disclosed
US-20120003674-A1 Chloral Hydrate Detection RANDOX LABORATORIES LIMITED (GB) 2012-01-05 — — US disclosed
EP-2402762-A1 Chloral hydrate immunoassay Randox Laboratories Ltd. (GB) 2012-01-04 — — EP disclosed
EP-2402761-A1 Chloral hydrate detection Randox Laboratories Ltd. (GB) 2012-01-04 — — EP 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-20120003674-A1 Chloral Hydrate Detection UGT1A6, CTSG, UGT1A3 CA9 253/4885CA2 897/4885CA1 93/4885

“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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