SCHEMBL2327259

SCHEMBL2327259

CCC(C)(C(=O)OC)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.42
MMP8 P22894 2/20 0.35
ALDH1A1 P00352 3/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 6/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KCNN4 O15554 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MGAM O43451 2/20 0.32
GAA P10253 2/20 0.32
SI P14410 2/20 0.32
MGAM2 Q2M2H8 2/20 0.32
HSD17B10 Q99714 1/20 0.32
FKBP1A P62942 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
SCHEMBL9752808 0.90 DGAT1 (0.39) DGAT1MMP8ALDH1A1POLBTSHR
SCHEMBL556529 0.87 DGAT1 (0.38) DGAT1MMP8ALDH1A1POLBTSHR
SCHEMBL4791578 0.87 DGAT1 (0.38) DGAT1MMP8ALDH1A1POLBTSHR
SCHEMBL17617140 0.87 ALDH1A1 (0.36) DGAT1MMP8ALDH1A1POLBTSHR
SCHEMBL17617189 0.87 ALDH1A1 (0.36) DGAT1MMP8ALDH1A1POLBTSHR
SCHEMBL3169320 0.85 DGAT1 (0.37) DGAT1MMP8ALDH1A1POLBTSHR
SCHEMBL17896932 0.84 DGAT1 (0.35) DGAT1MMP8ALDH1A1POLBTET2
SCHEMBL16368795 0.83 ALDH1A1 (0.36) DGAT1MMP8ALDH1A1TSHRHSD17B10
SCHEMBL6721877 0.82 DGAT1 (0.34) DGAT1MMP8ALDH1A1POLBCA1
SCHEMBL27871573 0.80 MMP8 (0.35) DGAT1MMP8TSHRHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170253708-A1 WATER-SOLUBLE PACKAGING FILM SEKISUI CHEMICAL CO., LTD. (JP) 2017-09-07 US disclosed
US-20170247154-A1 WATER-SOLUBLE PACKAGING FILM SEKISUI CHEMICAL CO., LTD. (JP) 2017-08-31 US disclosed
US-20160369072-A1 WATER-SOLUBLE FILM FOR PACKAGING CHEMICALS AND WATER-SOLUBLE FILM PACKAGE SEKISUI SPECIALTY CHEMICALS AMERICA, LLC 2016-12-22 US disclosed
US-9340522-B2 Pyrazolone-derivatives and their use as PDE-4 inhibitors TAKEDA GMBH (DE) 2016-05-17 US disclosed
EP-2356103-B1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS TAKEDA GMBH (DE) 2015-08-26 EP disclosed
US-20140073672-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS TAKEDA GMBH (DE) 2014-03-13 US disclosed
US-8609848-B2 Pyrazolone-derivatives and their use as PDE-4 inhibitors TAKEDA GMBH (DE) 2013-12-17 US disclosed
US-20130053553-A1 HETEROCYCLIC COMPOUNDS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2013-02-28 US disclosed
US-20110218201-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS NYCOMED GMBH (DE) 2011-09-08 US disclosed
EP-2356103-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PD4 INHIBITORS Nycomed GmbH (DE) 2011-08-17 EP disclosed
WO-2010055083-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PD4 INHIBITORS NYCOMED GMBH (DE) 2010-05-20 WO disclosed
US-20100035296-A1 COMPOUNDS AND METHODS FOR DETECTION OF CELLS APOSENSE LTD. (IL) 2010-02-11 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 (4 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-20100035296-A1 COMPOUNDS AND METHODS FOR DETECTION OF CELLS CASP3, BAX, BAD DGAT1 552/4885MMP8 816/4885ALDH1A1 773/4885
US-20130053553-A1 HETEROCYCLIC COMPOUNDS CYP2C8, UGT1A8, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 DGAT1 3093/4885MMP8 521/4885ALDH1A1 674/4885
US-20110218201-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS PDE4A, PDE3B, PDE3A DGAT1 3610/4885MMP8 832/4885ALDH1A1 344/4885
US-20140073672-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS PDE4A, PDE3B, PDE3A DGAT1 3610/4885MMP8 832/4885ALDH1A1 344/4885

“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.