SCHEMBL39332

SCHEMBL39332

CC(C)c1c(O)cc(O)cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.45
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
CA7 P43166 5/20 0.45
CA9 Q16790 5/20 0.45
CA14 Q9ULX7 5/20 0.45
PTGS2 P35354 2/20 0.45
ALOX5 P09917 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
CYP3A4 P08684 2/20 0.42
ACHE P22303 1/20 0.42
LDHA P00338 2/20 0.40
LDHB P07195 2/20 0.40
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
CSNK2A1 P68400 1/20 0.38
AHR P35869 1/20 0.38
PTPN1 P18031 2/20 0.37

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
SCHEMBL39051 0.82 CYP3A4 (0.42) CA12CA1CA2CA7CA9
SCHEMBL28396279 0.82 LDHA (0.41) CA12CA1CA2CA7CA9
SCHEMBL29130822 0.78 LDHA (0.46) CA12CA1CA2CA7CA9
SCHEMBL9744348 0.78 AHR (0.48) CA1CA2ALDH1A1CYP3A4MEN1
SCHEMBL2481281 0.78 LDHA (0.44) CA12CA1CA2CA7CA9
SCHEMBL15524561 0.76 THRB (0.44) CA12CA1CA2CA7CA9
SCHEMBL10947000 0.74 LDHA (0.46) CA12CA1CA2CA7CA9
SCHEMBL38868 0.72 CYP3A4 (0.52) CA12CA1CA2CA7CA9
SCHEMBL31026219 0.72 CYP3A4 (0.52) CA12CA1CA2CA7CA9
SCHEMBL11802918 0.72 CA12 (0.56) 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.