SCHEMBL1665014

SCHEMBL1665014

CCCCOC(=O)C1C(C)CCCC1C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PPARG P37231 3/20 0.43
CHRM2 P08172 3/20 0.42
CHRM4 P08173 3/20 0.42
CHRM5 P08912 3/20 0.42
CHRM1 P11229 3/20 0.42
CHRM3 P20309 3/20 0.42
FABP7 O15540 2/20 0.41
FABP5 Q01469 2/20 0.41
FKBP1A P62942 2/20 0.41
F2 P00734 1/20 0.39

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
SCHEMBL17780228 0.87 TSHR (0.57) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL1664712 0.87 TSHR (0.57) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL23655138 0.86 TSHR (0.56) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL1196561 0.85 ALDH1A1 (0.39) TSHRALDH1A1PPARGCHRM2CHRM4
SCHEMBL1667532 0.84 TSHR (0.41) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL16347173 0.83 TSHR (0.52) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL1664146 0.83 TSHR (0.58) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL16345545 0.82 TSHR (0.51) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL16344797 0.82 TSHR (0.51) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL16345449 0.82 TSHR (0.51) TSHRALDH1A1CYP3A4MAPK1TDP1

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 TSHR 4543/4885ALDH1A1 585/4885CYP3A4 113/4885

“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.