SCHEMBL1664112

SCHEMBL1664112

CCCCCC(CCC)COC(=O)C1C(C)C=CCC1C(=O)OC(C)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
ALDH1A1 P00352 3/20 0.34
CA2 P00918 1/20 0.34
CYP3A4 P08684 1/20 0.34
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
CTSK P43235 1/20 0.32
PPARG P37231 3/20 0.32
HCAR2 Q8TDS4 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 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
SCHEMBL1664082 0.88 PRSS1 (0.41) PRSS1PRSS2PRSS3ALDH1A1CA2
SCHEMBL1665167 0.85 PRSS1 (0.38) PRSS1PRSS2PRSS3ALDH1A1CA2
SCHEMBL1665255 0.83 PRSS1 (0.38) PRSS1PRSS2PRSS3ALDH1A1CA2
SCHEMBL1665066 0.82 PPARG (0.38) LMNAMAPK1PPARGCHRM2CHRM4
SCHEMBL1664378 0.82 PRSS1 (0.41) PRSS1PRSS2PRSS3ALDH1A1CA2
SCHEMBL1664255 0.81 HCAR2 (0.40) ALDH1A1CYP3A4LMNAMAPK1HCAR2
SCHEMBL1663826 0.80 PRSS1 (0.40) PRSS1PRSS2PRSS3ALDH1A1CA2
SCHEMBL1664256 0.79 HCAR2 (0.40) ALDH1A1CYP3A4LMNAMAPK1HCAR2
SCHEMBL1195754 0.76 CYP3A4 (0.45) PRSS1PRSS2PRSS3ALDH1A1CA2
SCHEMBL1665834 0.73 ALDH1A1 (0.49) PRSS1PRSS2PRSS3ALDH1A1CA2

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 PRSS1 4807/4885PRSS2 4447/4885PRSS3 4609/4885

“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.