SCHEMBL4445495

SCHEMBL4445495

CCCCC(CC)C(=O)OCC(C)(C)COC(=O)C(C)(C)COC(=O)C(CC)CCCC

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.53
CA1 P00915 4/20 0.53
MAPK1 P28482 1/20 0.44
ATM Q13315 2/20 0.39
GAA P10253 1/20 0.39
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
USP2 O75604 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32

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
SCHEMBL4452768 1.00 CA2 (0.53) CA2CA1MAPK1ATMGAA
SCHEMBL296220 0.90 CA2 (0.63) CA2CA1MAPK1ATMGAA
SCHEMBL14640944 0.90 CA2 (0.63) CA2CA1MAPK1ATMGAA
SCHEMBL15196275 0.89 CA2 (0.54) CA2CA1MAPK1ATMGAA
SCHEMBL27702516 0.88 CA2 (0.42) CA2CA1MAPK1ATMGAA
SCHEMBL27722993 0.88 CA2 (0.42) CA2CA1MAPK1ATMGAA
SCHEMBL13886452 0.87 CA2 (0.41) CA2CA1MAPK1ATMGAA
SCHEMBL14640822 0.85 TDP1 (0.45) CA2CA1MAPK1ATMGAA
SCHEMBL13886453 0.85 TDP1 (0.45) CA2CA1MAPK1ATMGAA
SCHEMBL13886451 0.85 TDP1 (0.45) CA2CA1MAPK1ATMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524896-B2 Hydroxypivalyl hydroxypivalate ester plasticizer composition and method of preparing the same LG CHEM, LTD. (KR) 2009-04-28 US claimed
EP-1838754-A4 HYDROXYPIVALYL HYDROXYPIVALATE ESTER PLASTICIZER COMPOSITION AND METHOD OF PREPARING THE SAME LG CHEMICAL LTD (KR) 2008-05-07 EP claimed
EP-1838754-A1 HYDROXYPIVALYL HYDROXYPIVALATE ESTER PLASTICIZER COMPOSITION AND METHOD OF PREPARING THE SAME LG Chem, Ltd. (KR) 2007-10-03 EP claimed
WO-2007011126-A1 HYDROXYPIVALYL HYDROXYPIVALATE ESTER PLASTICIZER COMPOSITION AND METHOD OF PREPARING THE SAME LG CHEM, LTD. (KR) 2007-01-25 WO claimed
US-20070015933-A1 Hydroxypivalyl hydroxypivalate ester plasticizer composition and method of preparing the same LG CHEM, LTD. (KR) 2007-01-18 US claimed
EP-1838754-B1 HYDROXYPIVALYL HYDROXYPIVALATE ESTER PLASTICIZER COMPOSITION AND METHOD OF PREPARING THE SAME LG CHEMICAL LTD (KR) 2013-08-21 EP disclosed
EP-1838754-B1 HYDROXYPIVALYL HYDROXYPIVALATE ESTER PLASTICIZER COMPOSITION AND METHOD OF PREPARING THE SAME LG CHEMICAL LTD (KR) 2013-08-21 EP disclosed
US-7524896-B2 Hydroxypivalyl hydroxypivalate ester plasticizer composition and method of preparing the same LG CHEM, LTD. (KR) 2009-04-28 US disclosed
US-7524896-B2 Hydroxypivalyl hydroxypivalate ester plasticizer composition and method of preparing the same LG CHEM, LTD. (KR) 2009-04-28 US disclosed
US-7524896-B2 Hydroxypivalyl hydroxypivalate ester plasticizer composition and method of preparing the same LG CHEM, LTD. (KR) 2009-04-28 US disclosed
EP-1838754-A4 HYDROXYPIVALYL HYDROXYPIVALATE ESTER PLASTICIZER COMPOSITION AND METHOD OF PREPARING THE SAME LG CHEMICAL LTD (KR) 2008-05-07 EP disclosed
EP-1838754-A1 HYDROXYPIVALYL HYDROXYPIVALATE ESTER PLASTICIZER COMPOSITION AND METHOD OF PREPARING THE SAME LG Chem, Ltd. (KR) 2007-10-03 EP disclosed
WO-2007011126-A1 HYDROXYPIVALYL HYDROXYPIVALATE ESTER PLASTICIZER COMPOSITION AND METHOD OF PREPARING THE SAME LG CHEM, LTD. (KR) 2007-01-25 WO disclosed
WO-2007011126-A1 HYDROXYPIVALYL HYDROXYPIVALATE ESTER PLASTICIZER COMPOSITION AND METHOD OF PREPARING THE SAME LG CHEM, LTD. (KR) 2007-01-25 WO disclosed
US-20070015933-A1 Hydroxypivalyl hydroxypivalate ester plasticizer composition and method of preparing the same LG CHEM, LTD. (KR) 2007-01-18 US disclosed
US-20070015933-A1 Hydroxypivalyl hydroxypivalate ester plasticizer composition and method of preparing the same LG CHEM, LTD. (KR) 2007-01-18 US disclosed
US-20070015933-A1 Hydroxypivalyl hydroxypivalate ester plasticizer composition and method of preparing the same LG CHEM, LTD. (KR) 2007-01-18 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-20070015933-A1 Hydroxypivalyl hydroxypivalate ester plasticizer composition and method of preparing the same COL14A1, HPD, HSPA4L CA2 4521/4885CA1 3783/4885MAPK1 2861/4885

“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.