SCHEMBL1663428

SCHEMBL1663428

CCCCCC(CCC)CC1(C(=O)O)C2CCC(C2)C1(C)C(=O)OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SIRT2 Q8IXJ6 6/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
SIRT1 Q96EB6 4/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
CETP P11597 3/20 0.33
SIRT3 Q9NTG7 3/20 0.33
TLR2 O60603 2/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
NR5A2 O00482 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
SCHEMBL2014071 0.85 CTSL (0.35) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL1666301 0.84 ALDH1A1 (0.40) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL1664348 0.83 BLM (0.35) ALDH1A1TSHRSIRT2SIRT1PRSS1
SCHEMBL16344715 0.74 MME (0.41) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL1664495 0.73 CETP (0.34) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL1664908 0.73 CETP (0.35) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL2940788 0.71 SIRT2 (0.32) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL1667534 0.71 NR5A2 (0.35) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL1665095 0.70 ADAM17 (0.34) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL1664003 0.70 ALDH1A1 (0.40) 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.