SCHEMBL39052

SCHEMBL39052

CCC(C)OC(=O)c1cc(O)cc(O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.67
CA1 P00915 6/20 0.67
CA2 P00918 6/20 0.67
CA7 P43166 6/20 0.67
CA9 Q16790 6/20 0.67
CA14 Q9ULX7 6/20 0.67
PRKCA P17252 2/20 0.44
PRKCD Q05655 2/20 0.44
TYR P14679 1/20 0.43
KMT2A Q03164 1/20 0.42
CA5A P35218 1/20 0.42
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
SERPINE1 P05121 1/20 0.39
HSD17B10 Q99714 1/20 0.38
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38

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
SCHEMBL23066477 0.96 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL39233 0.84 SERPINE1 (0.57) CA12CA1CA2CA7CA9
SCHEMBL9724886 0.81 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL39298 0.81 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL7595565 0.81 L3MBTL1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL14346381 0.81 ESR1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL1965809 0.80 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL39331 0.80 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL9327818 0.79 PRKCA (0.42) CA12CA1CA2CA7CA9
SCHEMBL5375275 0.78 MAPT (0.48) 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.