SCHEMBL1664951

SCHEMBL1664951

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
LPAR1 Q92633 1/20 0.38
LPAR3 Q9UBY5 1/20 0.38
HSD17B10 Q99714 3/20 0.37
CYP1A2 P05177 2/20 0.37
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 2/20 0.36
CASP6 P55212 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 4/20 0.35
TP53 P04637 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRM7 Q14831 2/20 0.34
CYP2C19 P33261 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
SCHEMBL1664952 0.95 POLB (0.40) HCAR2CA1CA2LPAR1LPAR3
SCHEMBL1663692 0.88 CA1 (0.41) CA1CA2TSHRMAPK1TDP1
SCHEMBL1664723 0.82 HCAR2 (0.49) HCAR2HSD17B10CYP1A2TSHRCYP3A4
SCHEMBL1196613 0.81 POLB (0.43) CA1CA2HSD17B10TSHRPOLB
SCHEMBL5526061 0.80 CA1 (0.36) CA1CA2TSHRPOLBCASP6
SCHEMBL1664724 0.78 POLB (0.45) HCAR2HSD17B10CYP1A2TSHRCYP3A4
SCHEMBL1665342 0.76 HCAR2 (0.49) HCAR2HSD17B10CYP1A2TSHRCYP3A4
SCHEMBL5523876 0.75 CA1 (0.37) CA1CA2HSD17B10CYP1A2TSHR
SCHEMBL1664441 0.74 HCAR2 (0.46) HCAR2LPAR1HSD17B10CYP1A2TSHR
SCHEMBL2034468 0.72 HCAR2 (0.45) HCAR2CA1CA2HSD17B10CYP1A2

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 HCAR2 1123/4885CA1 3608/4885CA2 3989/4885

“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.