SCHEMBL1664908

SCHEMBL1664908

CCCCCC(CCC)CC1(C(=O)OCc2ccccc2)CCC(C)CC1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.35
SIRT2 Q8IXJ6 2/20 0.35
SIRT1 Q96EB6 2/20 0.35
SIRT3 Q9NTG7 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
TLR2 O60603 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
SCHEMBL1664991 0.84 TSHR (0.39) CETPALDH1A1CYP3A4TSHRMAPK1
SCHEMBL1667534 0.81 NR5A2 (0.35) SIRT2SIRT1SIRT3ALDH1A1CYP3A4
SCHEMBL1664393 0.80 ALDH1A1 (0.35) CETPSIRT2SIRT1SIRT3ALDH1A1
SCHEMBL1665095 0.79 ADAM17 (0.34) CETPSIRT2SIRT1SIRT3ALDH1A1
SCHEMBL1665168 0.78 ALDH1A1 (0.35) CETPSIRT2SIRT1SIRT3ALDH1A1
SCHEMBL1666894 0.76 ALDH1A1 (0.33) CETPSIRT2SIRT1SIRT3ALDH1A1
SCHEMBL16344715 0.75 MME (0.41) CETPSIRT2SIRT1SIRT3ALDH1A1
SCHEMBL1663428 0.73 ALDH1A1 (0.35) CETPSIRT2SIRT1SIRT3ALDH1A1
SCHEMBL1664906 0.73 PRSS1 (0.44) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL2014071 0.71 CTSL (0.35) CETPSIRT2SIRT1SIRT3ALDH1A1

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 CETP 869/4885SIRT2 478/4885SIRT1 961/4885

“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.