SCHEMBL1663323

SCHEMBL1663323

CCCCOC(=O)C1C2C=CC(C2)C1C(=O)OCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
ALDH1A1 P00352 4/20 0.54
TSHR P16473 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
CYP3A4 P08684 1/20 0.54
MAPK1 P28482 1/20 0.54
PPARG P37231 3/20 0.47
FABP7 O15540 2/20 0.46
FABP5 Q01469 2/20 0.46
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL1663613 0.92 CA1 (0.55) CA1CA2ALDH1A1TSHRTDP1
SCHEMBL3285130 0.88 CA1 (0.62) CA1CA2ALDH1A1TSHRTDP1
SCHEMBL13197296 0.88 CA1 (0.62) CA1CA2ALDH1A1TSHRTDP1
SCHEMBL13197284 0.88 CA1 (0.62) CA1CA2ALDH1A1TSHRTDP1
SCHEMBL19323426 0.87 CA1 (0.63) CA1CA2ALDH1A1TSHRFABP7
SCHEMBL1663959 0.86 ALDH1A1 (0.56) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL1664146 0.85 TSHR (0.58) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL1451061 0.85 POLB (0.51) ALDH1A1TSHRTDP1L3MBTL1PPARG
SCHEMBL5837028 0.84 FABP7 (0.60) CA1CA2ALDH1A1TDP1FABP7
SCHEMBL10119913 0.84 FABP7 (0.60) CA1CA2ALDH1A1TDP1FABP7

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 CA1 3608/4885CA2 3989/4885ALDH1A1 585/4885

“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.