SCHEMBL1664845

SCHEMBL1664845

CCCCOC(=O)C1CC=CCC1C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.57
TSHR P16473 3/20 0.57
MAPK1 P28482 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
ALDH1A1 P00352 2/20 0.57
CYP3A4 P08684 1/20 0.57
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
PPARG P37231 3/20 0.43
KDM4E B2RXH2 1/20 0.43
CETP P11597 3/20 0.42
FABP7 O15540 1/20 0.42
FABP5 Q01469 1/20 0.42

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
SCHEMBL472117 0.87 CA1 (0.62) L3MBTL1TSHRMAPK1TDP1ALDH1A1
SCHEMBL31321938 0.87 CA1 (0.62) L3MBTL1TSHRMAPK1TDP1ALDH1A1
SCHEMBL1664712 0.86 TSHR (0.57) L3MBTL1TSHRMAPK1TDP1ALDH1A1
SCHEMBL17780228 0.86 TSHR (0.57) L3MBTL1TSHRMAPK1TDP1ALDH1A1
SCHEMBL19318899 0.86 CA1 (0.62) L3MBTL1TSHRMAPK1TDP1ALDH1A1
SCHEMBL1664672 0.86 TSHR (0.48) L3MBTL1TSHRMAPK1TDP1ALDH1A1
SCHEMBL23655138 0.85 TSHR (0.56) L3MBTL1TSHRMAPK1TDP1ALDH1A1
SCHEMBL1664430 0.85 CA1 (0.59) L3MBTL1TSHRMAPK1TDP1ALDH1A1
SCHEMBL1664580 0.84 L3MBTL1 (0.54) L3MBTL1TSHRMAPK1TDP1ALDH1A1
SCHEMBL28404131 0.84 ALDH1A1 (0.47) L3MBTL1TSHRMAPK1TDP1ALDH1A1

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 L3MBTL1 4045/4885TSHR 4543/4885MAPK1 4135/4885

“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.