SCHEMBL39467

SCHEMBL39467

CCC(C)OC(=O)c1cc(O)ccc1O

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.71
CA1 P00915 7/20 0.71
CA2 P00918 7/20 0.71
CA7 P43166 7/20 0.71
CA9 Q16790 7/20 0.71
CA14 Q9ULX7 7/20 0.71
ALOX5 P09917 1/20 0.46
PTGS2 P35354 1/20 0.46
EGFR P00533 4/20 0.43
NAAA Q02083 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HSP90AB1 P08238 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
HSP90AA1 P07900 1/20 0.40
SERPINE1 P05121 1/20 0.40

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
SCHEMBL23484284 0.84 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL40169 0.83 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL31498357 0.83 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL24991820 0.81 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL19335490 0.81 CA2 (0.47) CA12CA1CA2CA7CA9
SCHEMBL2268178 0.80 CA12 (0.75) CA12CA1CA2CA7CA9
SCHEMBL39200 0.80 LMNA (0.55) CA12CA1CA2CA7CA9
SCHEMBL4666912 0.79 ALDH1A1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL24991266 0.79 CA12 (0.73) CA12CA1CA2CA7CA9
SCHEMBL7092474 0.79 CA12 (0.73) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2584896-A2 HERBICIDAL COMPOSITIONS BASF SE (DE) 2013-05-01 EP disclosed
US-20130102463-A1 Herbicidal Compositions BASF SE (DE) 2013-04-25 US disclosed
WO-2011161105-A2 HERBICIDAL COMPOSITIONS BASF SE (DE) 2011-12-29 WO 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-20130102463-A1 Herbicidal Compositions PPOX, PAOX, DDT CA12 3500/4885CA1 1296/4885CA2 1050/4885

“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.