SCHEMBL5597480

SCHEMBL5597480

COC(=CC(=O)O)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
KDM4E B2RXH2 2/20 0.46
LDHA P00338 1/20 0.38
SRR Q9GZT4 1/20 0.38
HCAR2 Q8TDS4 4/20 0.37
FFAR3 O14843 2/20 0.36
EGLN1 Q9GZT9 2/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 3/20 0.32
CYP2D6 P10635 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
ATM Q13315 1/20 0.31

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
SCHEMBL5597479 1.00 TSHR (0.46) TSHRKDM4ELDHASRRHCAR2
SCHEMBL25408866 1.00 TSHR (0.46) TSHRKDM4ELDHASRRHCAR2
SCHEMBL6439871 0.85
SCHEMBL6439870 0.85
SCHEMBL6439868 0.85
SCHEMBL10392927 0.81 HDAC3 (0.40) TSHRKDM4EHCAR2FFAR3ALDH1A1
SCHEMBL9262414 0.78
SCHEMBL4147346 0.78
SCHEMBL1427568 0.78
SCHEMBL9262423 0.78

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 TSHR 3805/4885KDM4E 4645/4885LDHA 2456/4885

“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.