SCHEMBL4564447

SCHEMBL4564447

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.47
CA1 P00915 4/20 0.47
CYP3A4 P08684 4/20 0.47
TSHR P16473 3/20 0.47
ATM Q13315 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
GAA P10253 1/20 0.36
XBP1 P17861 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL27702497 0.87 CA2 (0.49) CA2CA1CYP3A4TSHRATM
SCHEMBL296220 0.85 CA2 (0.63) CA2CA1CYP3A4TSHRATM
SCHEMBL14640944 0.85 CA2 (0.63) CA2CA1CYP3A4TSHRATM
SCHEMBL27702516 0.83 CA2 (0.42) CA2CA1CYP3A4TSHRATM
SCHEMBL27722993 0.83 CA2 (0.42) CA2CA1CYP3A4TSHRATM
SCHEMBL55328 0.80 CYP3A4 (0.64) CA2CA1CYP3A4TSHRATM
SCHEMBL4445495 0.80 CA2 (0.53) CA2CA1CYP3A4TSHRATM
SCHEMBL4452768 0.80 CA2 (0.53) CA2CA1CYP3A4TSHRATM
SCHEMBL15196262 0.78 CA2 (0.51) CA2CA1CYP3A4TSHRATM
SCHEMBL15196275 0.78 CA2 (0.54) CA2CA1CYP3A4TSHRATM

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 11 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
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
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 3783/4885CYP3A4 594/4885

“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.