SCHEMBL20577652

SCHEMBL20577652

CCCCCC(CCC)Cc1ccc(C(=O)O)c(CC(CCC)CCCCC)c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.38
ALDH1A1 P00352 2/20 0.38
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
BID P55957 3/20 0.35
MCL1 Q07820 3/20 0.35
BCL2L1 Q07817 2/20 0.35
BAK1 Q16611 2/20 0.35
KAT8 Q9H7Z6 2/20 0.35
PPARG P37231 2/20 0.35
EP300 Q09472 1/20 0.35
KAT2A Q92830 1/20 0.35
KAT2B Q92831 1/20 0.35
KAT5 Q92993 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC8 Q9BY41 2/20 0.34

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
SCHEMBL541935 0.90 PPARA (0.38) PPARAALDH1A1PRSS1PRSS2PRSS3
SCHEMBL226029 0.88 ALDH1A1 (0.41) PPARAALDH1A1PRSS1PRSS2PRSS3
SCHEMBL3797295 0.87 PPARA (0.44) PPARAALDH1A1PRSS1PRSS2PRSS3
SCHEMBL2381622 0.85 PPARA (0.36) PPARAALDH1A1BIDMCL1BCL2L1
SCHEMBL9649914 0.84 PPARA (0.41) PPARAALDH1A1PRSS1PRSS2PRSS3
SCHEMBL29884308 0.84 PPARA (0.44) PPARAALDH1A1BIDMCL1BCL2L1
SCHEMBL27796050 0.83 BID (0.45) PPARAALDH1A1PRSS1PRSS2PRSS3
SCHEMBL29757688 0.82 PRSS1 (0.44) PPARAALDH1A1PRSS1PRSS2PRSS3
SCHEMBL3799939 0.82 PPARA (0.40) PPARAALDH1A1PRSS1PRSS2PRSS3
SCHEMBL6444382 0.82 POLB (0.39) ALDH1A1KDM4EPOLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10150727-B2 Ester compound, plasticizer composition including the same, preparation method of the plasticizer composition and resin composition including the plasticizer composition LG CHEM, LTD. (KR) 2018-12-11 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-10150727-B2 Ester compound, plasticizer composition including the same, preparation method of the plasticizer composition and resin composition including the plasticizer composition ELL, ELOVL5, ELOVL6 PPARA 347/4885ALDH1A1 2567/4885PRSS1 3969/4885

“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.