SCHEMBL2010558

SCHEMBL2010558

CCCCC1(C(=O)OCc2ccccc2)C(C(=O)O)C2CC1(C)C1OC21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
BCHE P06276 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2940788 0.86 SIRT2 (0.32) CYP3A4ALDH1A1TSHRMAPK1TDP1
SCHEMBL1664415 0.74 ALDH1A1 (0.37) CYP3A4ALDH1A1TSHRMAPK1TDP1
SCHEMBL1663446 0.71 ALDH1A1 (0.38) CYP3A4ALDH1A1TSHRMAPK1TDP1
SCHEMBL1666301 0.69 ALDH1A1 (0.40) CYP3A4ALDH1A1TSHRMAPK1TDP1
SCHEMBL1663445 0.69 L3MBTL1 (0.43) CYP3A4ALDH1A1TSHRMAPK1TDP1
SCHEMBL1664274 0.67 ALDH1A1 (0.39) CYP3A4ALDH1A1TSHRMAPK1TDP1
SCHEMBL1664003 0.67 ALDH1A1 (0.40) CYP3A4ALDH1A1TSHRMAPK1TDP1
SCHEMBL1665018 0.66 TSHR (0.39) CYP3A4ALDH1A1TSHRMAPK1TDP1
SCHEMBL1664673 0.66 ALDH1A1 (0.39) CYP3A4ALDH1A1TSHRMAPK1TDP1
SCHEMBL16344589 0.65 CETP (0.50) CYP3A4ALDH1A1TSHRMAPK1TDP1

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 CYP3A4 113/4885ALDH1A1 585/4885TSHR 4543/4885

“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.