SCHEMBL40169

SCHEMBL40169

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 10/20 1.00
CA1 P00915 10/20 1.00
CA2 P00918 10/20 1.00
CA7 P43166 10/20 1.00
CA9 Q16790 10/20 1.00
CA14 Q9ULX7 10/20 1.00
ALOX5 P09917 1/20 0.52
PTGS2 P35354 1/20 0.52
HSP90AA1 P07900 1/20 0.50
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
AKR1B1 P15121 1/20 0.48
PDK2 Q15119 1/20 0.46
PDK4 Q16654 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
CHRNA7 P36544 1/20 0.45

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
SCHEMBL31498357 1.00 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL5899097 0.87 CA12 (0.77) CA12CA1CA2CA7CA9
SCHEMBL2268178 0.86 CA12 (0.75) CA12CA1CA2CA7CA9
SCHEMBL26983171 0.85 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL5695920 0.85 CA12 (0.74) CA12CA1CA2CA7CA9
SCHEMBL24991266 0.84 CA12 (0.73) CA12CA1CA2CA7CA9
SCHEMBL7092474 0.84 CA12 (0.73) CA12CA1CA2CA7CA9
SCHEMBL13229031 0.84 CA12 (0.73) CA12CA1CA2CA7CA9
SCHEMBL39467 0.83 CA12 (0.71) CA12CA1CA2CA7CA9
SCHEMBL9363755 0.82 CA12 (0.70) 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 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
CN-102958361-A Herbicidal compositions BASF SE 2013-03-06 CN 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.