SCHEMBL20747336

SCHEMBL20747336

CCC1=CCC(C(=O)OC(C)C)=C(C(=O)OC(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.35
CA1 P00915 6/20 0.35
CA2 P00918 6/20 0.35
CA7 P43166 6/20 0.35
CA9 Q16790 6/20 0.35
CA14 Q9ULX7 6/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
LMNA P02545 3/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP12 P39900 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
SCHEMBL20747309 0.81 SMN1; SMN2 (0.39) SLC6A3KDM4EALDH1A1MAPTHSD17B10
SCHEMBL15932787 0.79 FNTA (0.39) ALDH1A1MAPT
SCHEMBL14726930 0.76 FNTA (0.45) ALDH1A1ALOX15
SCHEMBL31518859 0.74 CA12 (0.35) CA12CA1CA2CA7CA9
SCHEMBL21950921 0.73 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL21216900 0.67
SCHEMBL21900929 0.66 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL13719776 0.65 GAA (0.34) KDM4EALDH1A1MAPTHSD17B10HTT
SCHEMBL15932785 0.63 FNTA (0.39) ALDH1A1ALOX15TSHR
SCHEMBL16732040 0.63 SLC6A3 (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10207853-B2 Oxygen scavengers APG Polytech, LLC (US) 2019-02-19 US 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-10207853-B2 Oxygen scavengers LPO, GPX4, GPX1 CA12 4497/4885CA1 3921/4885CA2 2429/4885

“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.