SCHEMBL1663373

SCHEMBL1663373

CCCCCC(CCC)COC(=O)C1CC=CCC1C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.47
CA1 P00915 2/20 0.47
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CETP P11597 3/20 0.38
CTRC Q99895 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38

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
SCHEMBL1663766 0.89 PRSS1 (0.44) CA2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL1665167 0.88 PRSS1 (0.38) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL1664390 0.88 CA2 (0.52) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL1664704 0.87 PRSS1 (0.42) CA2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL1664906 0.86 PRSS1 (0.44) CA2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL1663369 0.85 PRSS1 (0.44) CA2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL1664082 0.84 PRSS1 (0.41) CA2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL1664026 0.83 PRSS1 (0.43) CA2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL1667532 0.83 TSHR (0.41) CA2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL1663528 0.83 CA2 (0.48) CA2CA1PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011071674-A1 ASYMMETRIC CYCLIC DIESTER COMPOUNDS FERRO CORPORATION (US) 2011-06-16 WO disclosed
EP-2307476-A1 ASYMMETRIC CYCLIC DIESTER COMPOUNDS FERRO CORPORATION (US) 2011-04-13 EP disclosed
US-20100113664-A1 Asymmetric Cyclic Diester Compounds FERRO CORPORATION (US) 2010-05-06 US disclosed
WO-2009152068-A1 ASYMMETRIC CYCLIC DIESTER COMPOUNDS FERRO CORPORATION (US) 2009-12-17 WO disclosed
US-20090312470-A1 Asymmetric Cyclic Diester Compounds FERRO CORPORATION (US) 2009-12-17 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-20090312470-A1 Asymmetric Cyclic Diester Compounds DDT, PCNA, AADAC CA2 3989/4885CA1 3608/4885PRSS1 4807/4885

“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.