SCHEMBL39377

SCHEMBL39377

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.59
CA1 P00915 5/20 0.59
CA2 P00918 5/20 0.59
CA9 Q16790 5/20 0.59
CA14 Q9ULX7 5/20 0.59
CA7 P43166 4/20 0.59
CA5A P35218 1/20 0.48
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
FASN P49327 1/20 0.40
SLC7A5 Q01650 1/20 0.40
SERPINE1 P05121 2/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
NFKB1 P19838 1/20 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
SCHEMBL4530957 0.96 CA12 (0.54) CA12CA1CA2CA9CA14
SCHEMBL2261292 0.87 CA12 (0.46) CA12CA1CA2CA9CA14
SCHEMBL25903379 0.87 CA12 (0.46) CA12CA1CA2CA9CA14
SCHEMBL20944289 0.87 CA1 (0.50) CA12CA1CA2CA9CA14
SCHEMBL7058435 0.86 CA12 (0.47) CA12CA1CA2CA9CA14
SCHEMBL25899816 0.84 CA12 (0.43) CA12CA1CA2CA9CA14
SCHEMBL26641147 0.81 SMN1; SMN2 (0.45) CA12CA1CA2CA9CA14
SCHEMBL39049 0.81 POLB (0.61) CA12CA1CA2CA9CA14
SCHEMBL68806 0.80 ESR1 (0.53) CA12CA1CA2CA9GABRA1
SCHEMBL19240774 0.80 CA12 (0.40) CA12CA1CA2CA9CA14

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
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
US-20100190856-A1 Novel Polyhydroxylated Compounds as Fatty Acid Synthase (FASN) Inhibitors UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 2010-07-29 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 (2 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-20100190856-A1 Novel Polyhydroxylated Compounds as Fatty Acid Synthase (FASN) Inhibitors FASN, SCD, FADS2 CA12 4827/4885CA1 4396/4885CA2 4131/4885
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.