SCHEMBL5597196

SCHEMBL5597196

COc1cc(C(N)CC(=O)O)ccc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.68
TSHR P16473 3/20 0.59
BLM P54132 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
NFKB1 P19838 2/20 0.55
PMP22 Q01453 1/20 0.54
CYP3A4 P08684 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
PDE4D Q08499 1/20 0.51
BCHE P06276 2/20 0.50
TYR P14679 2/20 0.50
ACHE P22303 2/20 0.50
HTT P42858 1/20 0.49
SLC22A3 O75751 1/20 0.47
FOLH1 Q04609 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL10381531 0.88 GAA (0.53) GAATSHRBLMNPSR1NFKB1
SCHEMBL5720955 0.88 ACHE (0.59) GAAALDH1A1PDE4DACHEKMT2A
SCHEMBL30540379 0.88 ACHE (0.59) GAAALDH1A1PDE4DACHEKMT2A
SCHEMBL2991798 0.88 ACHE (0.59) GAAALDH1A1PDE4DACHEKMT2A
SCHEMBL4671897 0.88 ACHE (0.59) GAAALDH1A1PDE4DACHEKMT2A
Hydrochloric Acid SCHEMBL5743213 0.86 ACHE (0.57) GAAALDH1A1PDE4DACHEKMT2A
Hydrochloric Acid SCHEMBL5905254 0.86 ACHE (0.57) GAAALDH1A1PDE4DACHEKMT2A
Hydrochloric Acid SCHEMBL5742665 0.86 ACHE (0.57) GAAALDH1A1PDE4DACHEKMT2A
SCHEMBL3182357 0.83 TSHR (0.67) GAATSHRBLMNPSR1NFKB1
SCHEMBL1682681 0.82 GAA (0.77) GAATSHRBLMNPSR1NFKB1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007502314-A 2007-02-08 JP claimed
US-20070010579-A1 Copper salts of organic acids and use thereof as fungicides ISARGO S.P.A. (IT) 2007-01-11 US claimed
EP-1633190-A1 COPPER SALTS OF ORGANIC ACIDS AND USE THEREOF AS FUNGICIDES ISAGRO S.p.A. (IT) 2006-03-15 EP claimed
WO-2004103074-A1 COPPER SALTS OF ORGANIC ACIDS AND USE THEREOF AS FUNGICIDES ISAGRO S.P.A. (IT) 2004-12-02 WO claimed
US-20070010579-A1 Copper salts of organic acids and use thereof as fungicides ISARGO S.P.A. (IT) 2007-01-11 US disclosed
EP-1633190-A1 COPPER SALTS OF ORGANIC ACIDS AND USE THEREOF AS FUNGICIDES ISAGRO S.p.A. (IT) 2006-03-15 EP disclosed
WO-2004103074-A1 COPPER SALTS OF ORGANIC ACIDS AND USE THEREOF AS FUNGICIDES ISAGRO S.P.A. (IT) 2004-12-02 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-20070010579-A1 Copper salts of organic acids and use thereof as fungicides AOC3, AOC2, AOC1 GAA 59/4885TSHR 3805/4885BLM 4300/4885

“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.