SCHEMBL1666892

SCHEMBL1666892

CCCCCC(CCC)COC(=O)C1C(C(=O)OCc2ccccc2)CC2OC2C1C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
FABP7 O15540 1/20 0.34
FABP5 Q01469 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
CA2 P00918 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
F2 P00734 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL1664704 0.88 PRSS1 (0.42) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL1664413 0.85 TSHR (0.46) FABP7FABP5ALDH1A1CYP3A4TSHR
SCHEMBL1663429 0.83 PRSS1 (0.40) PRSS1PRSS2PRSS3FABP7FABP5
SCHEMBL1664529 0.83 PPM1B (0.42) PRSS1PRSS2PRSS3FABP7FABP5
SCHEMBL2034957 0.83 PRSS1 (0.43) PRSS1PRSS2PRSS3FABP7FABP5
SCHEMBL1663785 0.81 PRSS1 (0.40) PRSS1PRSS2PRSS3FABP7FABP5
SCHEMBL1664906 0.81 PRSS1 (0.44) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL1664026 0.81 PRSS1 (0.43) PRSS1PRSS2PRSS3FABP7FABP5
SCHEMBL1663369 0.81 PRSS1 (0.44) PRSS1PRSS2PRSS3FABP7FABP5
SCHEMBL1663989 0.80 CA2 (0.48) PRSS1PRSS2PRSS3FABP7FABP5

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.