SCHEMBL1664113

SCHEMBL1664113

CCCCCC(CCC)CC1(C(=O)OC(C)c2ccccc2)CC=CC(C)C1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CTSK P43235 3/20 0.32
HCAR2 Q8TDS4 1/20 0.32
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
CYP17A1 P05093 2/20 0.31
CYP19A1 P11511 2/20 0.31
MMP2 P08253 2/20 0.30
MMP3 P08254 1/20 0.30
S1PR5 Q9H228 2/20 0.30
S1PR1 P21453 1/20 0.30

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
SCHEMBL1665257 0.82 CTSK (0.33) ALDH1A1CTSKHCAR2PRSS1PRSS2
SCHEMBL1664112 0.71 PRSS1 (0.37) ALDH1A1CTSKHCAR2PRSS1PRSS2
SCHEMBL1664673 0.68 ALDH1A1 (0.39) ALDH1A1
SCHEMBL1664082 0.66 PRSS1 (0.41) ALDH1A1CTSKHCAR2PRSS1PRSS2
SCHEMBL1664378 0.64 PRSS1 (0.41) ALDH1A1CTSKHCAR2PRSS1PRSS2
SCHEMBL28405619 0.63 ALDH1A1 (0.48) ALDH1A1CTSKHCAR2PRSS1PRSS2
SCHEMBL28405618 0.63 ALDH1A1 (0.48) ALDH1A1CTSKHCAR2PRSS1PRSS2
SCHEMBL1663826 0.63 PRSS1 (0.40) ALDH1A1CTSKHCAR2PRSS1PRSS2
SCHEMBL19024932 0.62 ALDH1A1 (0.50) ALDH1A1HCAR2PRSS1PRSS2PRSS3
SCHEMBL19024796 0.62 ALDH1A1 (0.50) ALDH1A1HCAR2PRSS1PRSS2PRSS3

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 ALDH1A1 585/4885CTSK 3716/4885HCAR2 1123/4885

“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.