SCHEMBL1665834

SCHEMBL1665834

CCCCC(CC)COC(=O)C1CCCCC1C(=O)OC(C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
CYP3A4 P08684 3/20 0.49
CA2 P00918 1/20 0.49
LMNA P02545 3/20 0.46
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
MAPK1 P28482 3/20 0.43
CTSK P43235 2/20 0.41
TSHR P16473 4/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 2/20 0.38
HCAR2 Q8TDS4 1/20 0.36
POLB P06746 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36

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 0.91 PRSS1 (0.41) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL1665337 0.84 CHRM2 (0.44) CYP3A4LMNAMAPK1CTSKTSHR
SCHEMBL16347469 0.84 ALDH1A1 (0.52) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL1296455 0.83 CYP3A4 (0.48) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL1142664 0.82 CYP3A4 (0.55) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL5519382 0.82 CYP3A4 (0.47) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL17780132 0.82 ALDH1A1 (0.46) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL1196552 0.80 CYP3A4 (0.50) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL1296386 0.80 CYP3A4 (0.50) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL1664082 0.80 PRSS1 (0.41) ALDH1A1CYP3A4CA2LMNAPRSS1

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 585/4885CYP3A4 113/4885CA2 3989/4885

“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.