SCHEMBL24487015

SCHEMBL24487015

O=c1cc(CCOCOP(=O)(O)O)c2ccccc2o1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA9 Q16790 2/20 0.42
HSD17B3 P37058 5/20 0.41
NQO1 P15559 1/20 0.40
CYP19A1 P11511 1/20 0.40
KCNA3 P22001 1/20 0.40
RECQL P46063 1/20 0.39
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37

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
SCHEMBL24487010 0.87 HSD17B3 (0.45) CA12CA1CA9HSD17B3NQO1
SCHEMBL21533753 0.85 CA12 (0.44) CA12CA1CA9HSD17B3NQO1
SCHEMBL21533752 0.81 HSD17B3 (0.44) CA12CA1CA9HSD17B3NQO1
SCHEMBL24487172 0.80 KDM4E (0.46) CA12CA1CA9NQO1CYP19A1
SCHEMBL21533671 0.78 KDM4E (0.44) CA12CA1CA9HSD17B3NQO1
SCHEMBL24486793 0.78 MMP2 (0.50) CA12CA1CA9ALDH1A1RAB9A
SCHEMBL21171981 0.78 HSD17B3 (0.43) CA12CA1CA9HSD17B3NQO1
SCHEMBL24487061 0.77 KMT2A (0.42) CA12CA1CA9HSD17B3CYP19A1
SCHEMBL21172146 0.77 NPC1 (0.44) CA12CA1CA9HSD17B3NQO1
SCHEMBL21171753 0.77 CA12 (0.41) CA12CA1CA9NQO1CYP19A1

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-11352325-B2 Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals WATERS TECHNOLOGIES CORPORATION (US) 2022-06-07 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-11352325-B2 Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals FUT5, FUT6, ST3GAL3 CA12 959/4885CA1 2769/4885CA9 3259/4885

“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.