SCHEMBL1665257

SCHEMBL1665257

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.33
MME P08473 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
NR5A2 O00482 2/20 0.31
NR5A1 Q13285 2/20 0.31
OPRM1 P35372 2/20 0.31
OPRD1 P41143 2/20 0.31
OPRK1 P41145 2/20 0.31
OPRL1 P41146 2/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
CHRM3 P20309 1/20 0.31
CTSV O60911 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 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
SCHEMBL1664113 0.82 ALDH1A1 (0.32) CTSKALDH1A1HCAR2PRSS1PRSS2
SCHEMBL1665255 0.70 PRSS1 (0.38) CTSKALDH1A1PRSS1PRSS2PRSS3
SCHEMBL1664179 0.68 ALDH1A1 (0.38) CTSKALDH1A1CHRM3CTSLCTSB
SCHEMBL1664378 0.68 PRSS1 (0.41) CTSKALDH1A1HCAR2PRSS1PRSS2
SCHEMBL26597285 0.68 GPR84 (0.36)
SCHEMBL1664908 0.66 CETP (0.35) ALDH1A1PRSS1PRSS2PRSS3
SCHEMBL21925223 0.65 MME (0.32) MME
SCHEMBL1664082 0.64 PRSS1 (0.41) CTSKALDH1A1HCAR2PRSS1PRSS2
SCHEMBL28405619 0.63 ALDH1A1 (0.48) CTSKALDH1A1HCAR2PRSS1PRSS2
SCHEMBL28405618 0.63 ALDH1A1 (0.48) CTSKALDH1A1HCAR2PRSS1PRSS2

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 CTSK 3716/4885MME 2460/4885ALDH1A1 585/4885

“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.