SCHEMBL2034469

SCHEMBL2034469

CC1CCC(C(=O)OC(C)c2ccccc2)C(C(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.42
CYP1A2 P05177 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
GRIN2B Q13224 1/20 0.37
CYP2C19 P33261 1/20 0.36
TRPM8 Q7Z2W7 2/20 0.36
BLM P54132 1/20 0.36
S1PR5 Q9H228 2/20 0.36
S1PR1 P21453 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
AGTR2 P50052 1/20 0.36
KCNA5 P22460 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
SCHEMBL2034468 0.96 HCAR2 (0.45) HCAR2CYP1A2HSD17B10CYP3A4CYP2D6
SCHEMBL1665343 0.84 TAAR1 (0.53) HCAR2HSD17B10CYP3A4TSHRTAAR1
SCHEMBL1664792 0.83 CHRM2 (0.42) HCAR2TSHRMAPK1HPGD
SCHEMBL1665342 0.82 HCAR2 (0.49) HCAR2CYP1A2HSD17B10CYP3A4CYP2D6
SCHEMBL1664443 0.82 HCAR2 (0.43) HCAR2CYP1A2HSD17B10CYP3A4CYP2D6
SCHEMBL27709920 0.79 EPHX1 (0.42) TSHRTRPM8
SCHEMBL1664724 0.78 POLB (0.45) HCAR2CYP1A2HSD17B10CYP3A4CYP2D6
SCHEMBL18674045 0.77 KCNQ3 (0.49) HCAR2CYP1A2HSD17B10CYP3A4CYP2D6
SCHEMBL1664441 0.77 HCAR2 (0.46) HCAR2CYP1A2HSD17B10CYP3A4CYP2D6
SCHEMBL1664723 0.76 HCAR2 (0.49) HCAR2CYP1A2HSD17B10CYP3A4CYP2D6

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 3 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
US-20100113664-A1 Asymmetric Cyclic Diester Compounds FERRO CORPORATION (US) 2010-05-06 US 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 1123/4885CYP1A2 31/4885HSD17B10 181/4885

“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.