SCHEMBL1666301

SCHEMBL1666301

CCCCC1(C(=O)O)C2CCC(C2)C1(C)C(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
SLC10A2 Q12908 2/20 0.37
CETP P11597 3/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1663428 0.84 ALDH1A1 (0.35) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL1664003 0.82 ALDH1A1 (0.40) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL1663446 0.80 ALDH1A1 (0.38) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL2014071 0.70 CTSL (0.35) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL19716314 0.69 ALDH1A1 (0.42) ALDH1A1NR1H2NR1H3DDB1CRBN
SCHEMBL2010558 0.69 CYP3A4 (0.36) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL16344589 0.69 CETP (0.50) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL1664991 0.68 TSHR (0.39) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL21895655 0.68 NR1H2 (0.47) ALDH1A1TSHRCYP3A4MAPK1NR1H2
SCHEMBL15114686 0.67 DDB1 (0.50) ALDH1A1TSHRMAPK1TDP1L3MBTL1

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 585/4885TSHR 4543/4885CYP3A4 113/4885

“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.