SCHEMBL1663826

SCHEMBL1663826

CCCCCC(CCC)COC(=O)C1CC2OC2CC1C(=O)OC(C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
ALDH1A1 P00352 2/20 0.37
CA2 P00918 1/20 0.37
CYP3A4 P08684 1/20 0.37
CHRM2 P08172 4/20 0.36
CHRM1 P11229 4/20 0.36
BLM P54132 2/20 0.36
PMP22 Q01453 2/20 0.36
TSHR P16473 2/20 0.36
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36
LMNA P02545 3/20 0.35
CHRM4 P08173 3/20 0.35
CHRM5 P08912 3/20 0.35
CHRM3 P20309 3/20 0.35
HCAR2 Q8TDS4 1/20 0.34
CTSK P43235 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL1664082 0.88 PRSS1 (0.41) PRSS1PRSS2PRSS3ALDH1A1CA2
SCHEMBL1664704 0.85 PRSS1 (0.42) PRSS1PRSS2PRSS3ALDH1A1CA2
SCHEMBL1664669 0.84 CHRM2 (0.43) CHRM2CHRM1TSHRLMNACHRM4
SCHEMBL1665255 0.81 PRSS1 (0.38) PRSS1PRSS2PRSS3ALDH1A1CA2
SCHEMBL1664112 0.80 PRSS1 (0.37) PRSS1PRSS2PRSS3ALDH1A1CA2
SCHEMBL1664441 0.80 HCAR2 (0.46) ALDH1A1CYP3A4CHRM2CHRM1TSHR
SCHEMBL1665834 0.78 ALDH1A1 (0.49) PRSS1PRSS2PRSS3ALDH1A1CA2
SCHEMBL1664671 0.78 ALDH1A1 (0.39) ALDH1A1CHRM2CHRM1BLMPMP22
SCHEMBL1664443 0.77 HCAR2 (0.43) ALDH1A1CYP3A4CHRM2CHRM1TSHR

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.