SCHEMBL1665255

SCHEMBL1665255

CCCCCC(CCC)COC(=O)C1C(C)CCCC1C(=O)OC(C)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 4/20 0.34
CA2 P00918 1/20 0.34
CYP3A4 P08684 1/20 0.34
CTSK P43235 2/20 0.34
GPR88 Q9GZN0 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PPARG P37231 2/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL1664378 0.88 PRSS1 (0.41) PRSS1PRSS2PRSS3ALDH1A1CA2
SCHEMBL1667532 0.85 TSHR (0.41) PRSS1PRSS2PRSS3ALDH1A1CA2
SCHEMBL1664112 0.83 PRSS1 (0.37) PRSS1PRSS2PRSS3ALDH1A1CA2
SCHEMBL1664082 0.82 PRSS1 (0.41) PRSS1PRSS2PRSS3ALDH1A1CA2
SCHEMBL1664178 0.81 CHRM2 (0.40) MEN1KMT2AALDH1A1CTSKKDM4E
SCHEMBL1663826 0.81 PRSS1 (0.40) PRSS1PRSS2PRSS3ALDH1A1CA2
SCHEMBL1667289 0.81 HCAR2 (0.41) MEN1KMT2ACYP3A4KDM4ETSHR
SCHEMBL1665834 0.79 ALDH1A1 (0.49) PRSS1PRSS2PRSS3MEN1KMT2A
SCHEMBL1667292 0.77 HCAR2 (0.40) MEN1KMT2ACYP3A4KDM4ETSHR
SCHEMBL1196807 0.74 CYP3A4 (0.47) 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.