SCHEMBL1664952

SCHEMBL1664952

CC1=CCC(C(=O)OC(C)c2ccccc2)C(C(=O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.40
CASP6 P55212 2/20 0.40
CTDSP1 Q9GZU7 2/20 0.40
HCAR2 Q8TDS4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
TAAR1 Q96RJ0 1/20 0.37
LPAR1 Q92633 1/20 0.36
LPAR3 Q9UBY5 1/20 0.36
GRK2 P25098 1/20 0.36
HSD17B10 Q99714 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 5/20 0.35
S1PR5 Q9H228 2/20 0.34
S1PR1 P21453 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
SCHEMBL1664951 0.95 HCAR2 (0.42) POLBCASP6CTDSP1HCAR2TDP1
SCHEMBL1663692 0.83 CA1 (0.41) TDP1CA1CA2TSHRMAPK1
SCHEMBL1664724 0.82 POLB (0.45) POLBHCAR2TDP1TAAR1HSD17B10
SCHEMBL1664723 0.80 HCAR2 (0.49) POLBHCAR2TDP1TAAR1HSD17B10
SCHEMBL354461 0.77 POLB (0.50) POLBCASP6CTDSP1TDP1CA1
SCHEMBL1665343 0.76 TAAR1 (0.53) HCAR2TAAR1HSD17B10CYP3A4TSHR
SCHEMBL29232142 0.76 POLB (0.42) POLBCASP6CTDSP1TDP1CA1
SCHEMBL1196613 0.75 POLB (0.43) POLBCASP6CTDSP1TDP1CA1
SCHEMBL15129768 0.75 POLB (0.52) POLBCASP6CTDSP1TDP1CA1
SCHEMBL5526061 0.75 CA1 (0.36) POLBCASP6CTDSP1TDP1CA1

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 POLB 582/4885CASP6 4200/4885CTDSP1 1008/4885

“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.