SCHEMBL1664413

SCHEMBL1664413

CCCCOC(=O)C1C(C(=O)OCc2ccccc2)CC2OC2C1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PPARG P37231 3/20 0.40
FABP7 O15540 2/20 0.39
FABP5 Q01469 2/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
PPP5C P53041 1/20 0.37
F2 P00734 2/20 0.37
KDM4E B2RXH2 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL1664580 0.85 L3MBTL1 (0.54) TSHRMAPK1L3MBTL1ALDH1A1CYP3A4
SCHEMBL1664418 0.85 NAAA (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1666892 0.85 PRSS1 (0.36) TSHRMAPK1L3MBTL1ALDH1A1CYP3A4
SCHEMBL1665377 0.83 CHRM2 (0.36) TSHRMAPK1L3MBTL1TDP1PPARG
SCHEMBL27805603 0.82 PPARG (0.41) TSHRMAPK1L3MBTL1TDP1PPARG
SCHEMBL1663376 0.80 ALDH1A1 (0.51) TSHRMAPK1L3MBTL1ALDH1A1CYP3A4
SCHEMBL2032598 0.80 PPM1B (0.56) TSHRMAPK1L3MBTL1ALDH1A1CYP3A4
SCHEMBL1664742 0.80 L3MBTL1 (0.56) TSHRMAPK1L3MBTL1ALDH1A1CYP3A4
SCHEMBL1663781 0.78 TSHR (0.51) TSHRMAPK1L3MBTL1ALDH1A1CYP3A4
SCHEMBL1664990 0.78 ALDH1A1 (0.53) TSHRMAPK1L3MBTL1ALDH1A1CYP3A4

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 4543/4885MAPK1 4135/4885L3MBTL1 4045/4885

“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.