SCHEMBL39051

SCHEMBL39051

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.42
ACHE P22303 1/20 0.42
RXRA P19793 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
TSHR P16473 2/20 0.40
ALOX5 P09917 2/20 0.40
PTGS2 P35354 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN11 Q06124 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PTGS1 P23219 1/20 0.39
DRD3 P35462 1/20 0.39
SMN1; SMN2 Q16637 1/20 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
SCHEMBL39332 0.82 CA12 (0.45) CYP3A4ACHECA12CA1CA2
SCHEMBL20621450 0.81 RXRA (0.46) CYP3A4ACHERXRATSHRALDH1A1
SCHEMBL39232 0.81 SELL (0.38) CA12CA1CA2CA7CA9
SCHEMBL39468 0.76 TSHR (0.39) RXRACA12CA1CA2CA7
SCHEMBL16010402 0.76 RXRA (0.42) CYP3A4ACHERXRATSHRALDH1A1
SCHEMBL6448117 0.74 CYP1A2 (0.42) CA12CA9TSHRALDH1A1MEN1
SCHEMBL38648 0.72 SELL (0.50) CA12CA1CA2CA7CA9
SCHEMBL15524303 0.72 PTPN1 (0.51) CYP3A4ACHERXRATSHRALDH1A1
SCHEMBL3391262 0.71 POLB (0.45) CA12CA9TSHRALDH1A1MEN1
SCHEMBL39025 0.71 CA12 (0.45) CYP3A4ACHECA12CA1CA2

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 CYP3A4 223/4885ACHE 226/4885RXRA 1760/4885

“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.