SCHEMBL1667534

SCHEMBL1667534

CCCCCC(CCC)CC1(C(=O)OCc2ccccc2)CCCC(C)C1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR5A2 O00482 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 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
SCHEMBL1665257 0.84 CTSK (0.33) NR5A2ALDH1A1
SCHEMBL1665018 0.84 TSHR (0.39) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL1665168 0.81 ALDH1A1 (0.35) SIRT2SIRT1SIRT3TSHRALDH1A1
SCHEMBL1664908 0.81 CETP (0.35) SIRT2SIRT1SIRT3TSHRALDH1A1
SCHEMBL1666894 0.79 ALDH1A1 (0.33) SIRT2SIRT1SIRT3TSHRALDH1A1
SCHEMBL16344715 0.77 MME (0.41) SIRT2SIRT1SIRT3TSHRALDH1A1
SCHEMBL1664393 0.76 ALDH1A1 (0.35) SIRT2SIRT1SIRT3TSHRALDH1A1
SCHEMBL1665095 0.75 ADAM17 (0.34) SIRT2SIRT1SIRT3TSHRALDH1A1
SCHEMBL1664495 0.73 CETP (0.34) SIRT2SIRT1SIRT3TSHRALDH1A1
SCHEMBL1663428 0.71 ALDH1A1 (0.35) NR5A2SIRT2SIRT1SIRT3TSHR

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 NR5A2 891/4885SIRT2 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.