SCHEMBL15745927

SCHEMBL15745927

Cc1cc2oc(=O)ccc2cc1OC1OC(CO)C(O)C(O)C1O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 6/20 0.80
▸ CA9 Q16790 6/20 0.80
▸ CA1 P00915 5/20 0.80
▸ CA7 P43166 2/20 0.80
▸ CA13 Q8N1Q1 2/20 0.80
▸ ALDH1A1 P00352 5/20 0.78
▸ HPGD P15428 5/20 0.78
▸ KDM4E B2RXH2 4/20 0.78
▸ CASP1 P29466 4/20 0.78
▸ CASP7 P55210 4/20 0.78
▸ HSD17B10 Q99714 4/20 0.78
▸ KMT2A Q03164 4/20 0.78
▸ GAA P10253 3/20 0.78
▸ MEN1 O00255 3/20 0.78
▸ GLA P06280 2/20 0.78
▸ CYP2C19 P33261 1/20 0.78
▸ AMY1A P0DUB6 1/20 0.78
▸ STAT6 P42226 1/20 0.78
▸ ERAP1 Q9NZ08 3/20 0.76
▸ L3MBTL1 Q9Y468 2/20 0.62

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
SCHEMBL17838079 0.89 CA12 (1.00) CA12CA9CA1CA7CA13
Scopolin SCHEMBL1674804 0.89 CA12 (1.00) CA12CA9CA1CA7CA13
Scopolin SCHEMBL6260522 0.89 CA12 (1.00) CA12CA9CA1CA7CA13
Scopolin SCHEMBL14296928 0.89 CA12 (1.00) CA12CA9CA1CA7CA13
Esculin SCHEMBL8035285 0.87 ALDH1A1 (1.00) CA12CA9CA1CA7CA13
Esculin SCHEMBL8183298 0.87 ALDH1A1 (1.00) CA12CA9CA1CA7CA13
Esculin SCHEMBL13096298 0.87 ALDH1A1 (1.00) CA12CA9CA1CA7CA13
Esculin SCHEMBL19756246 0.87 ALDH1A1 (1.00) CA12CA9CA1CA7CA13
Esculin SCHEMBL7537406 0.87 ALDH1A1 (1.00) CA12CA9CA1CA7CA13
Esculin SCHEMBL2893 0.87 ALDH1A1 (1.00) CA12CA9CA1CA7CA13

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-20140148400-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY METASIGNAL THERAPEUTICS INC. (CA) 2014-05-29 — — 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-20140148400-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY CA7, CA4, CA2 CA12 10/4885CA9 4/4885CA1 5/4885

“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.

Send feedback