SCHEMBL1664274

SCHEMBL1664274

CCCCC1(C(=O)OCc2ccccc2)CC2OC2(C)CC1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 4/20 0.39
TSHR P16473 3/20 0.39
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADAM17 P78536 3/20 0.38
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CASP1 P29466 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC10A2 Q12908 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
SCHEMBL1665095 0.85 ADAM17 (0.34) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL1664991 0.75 TSHR (0.39) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL1664415 0.73 ALDH1A1 (0.37) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL1664273 0.71 TSHR (0.47) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL1664673 0.71 ALDH1A1 (0.39) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL1665018 0.71 TSHR (0.39) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL27655556 0.67 AKT1 (0.45) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL2010558 0.67 CYP3A4 (0.36) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL16344589 0.67 CETP (0.50) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL28300763 0.66 ALDH1A1 (0.41) ALDH1A1CYP3A4TSHRMAPK1TDP1

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 ALDH1A1 585/4885CYP3A4 113/4885TSHR 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.