SCHEMBL2910108

SCHEMBL2910108

CCOC(=O)CC(=O)CC(OC)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
MGAM O43451 1/20 0.54
SI P14410 1/20 0.54
MGAM2 Q2M2H8 1/20 0.54
ALDH1A1 P00352 7/20 0.40
TRPA1 O75762 1/20 0.40
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 2/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 3/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
CHRM1 P11229 1/20 0.37
ADORA1 P30542 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL16415508 0.84 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1873215 0.83 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10211016 0.83 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL12787269 0.82 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11734492 0.81 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL15344 0.79 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9005312 0.78 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL155563 0.78 GAA (0.78) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL31260805 0.78 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5074741 0.78 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1

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-20110065920-A1 PROCESS FOR PREPARING PENTANOIC DIACID DERIVATIVES RATIOPHARM GMBH (DE) 2011-03-17 US disclosed
US-20110065920-A1 PROCESS FOR PREPARING PENTANOIC DIACID DERIVATIVES RATIOPHARM GMBH (DE) 2011-03-17 US disclosed
US-20110065920-A1 PROCESS FOR PREPARING PENTANOIC DIACID DERIVATIVES RATIOPHARM GMBH (DE) 2011-03-17 US disclosed
EP-2223909-A1 Process for preparing pentanoic diacid derivatives Ratiopharm GmbH (DE) 2010-09-01 EP disclosed
EP-2223909-A1 Process for preparing pentanoic diacid derivatives Ratiopharm GmbH (DE) 2010-09-01 EP disclosed
EP-2181089-A2 PROCESS FOR PREPARING PENTANOIC DIACID DERIVATIVES Ratiopharm GmbH (DE) 2010-05-05 EP disclosed
WO-2009027081-A2 PROCESS FOR PREPARING PENTANOIC DIACID DERIVATIVES RATIOPHARM GMBH (DE) 2009-03-05 WO disclosed
WO-2009027081-A2 PROCESS FOR PREPARING PENTANOIC DIACID DERIVATIVES RATIOPHARM GMBH (DE) 2009-03-05 WO disclosed
WO-2007107276-A2 PROCESS FOR PREPARING C7 INTERMEDIATES AND THEIR USE IN THE PREPARATION OF N-SUBSTITUTED PYRROLE DERIVATIVES RATIOPHARM GMBH (DE) 2007-09-27 WO disclosed
WO-2007107276-A2 PROCESS FOR PREPARING C7 INTERMEDIATES AND THEIR USE IN THE PREPARATION OF N-SUBSTITUTED PYRROLE DERIVATIVES RATIOPHARM GMBH (DE) 2007-09-27 WO disclosed
EP-1834944-A1 Process for preparing C7 intermediates and their use in the preparation on N-substituted pyrrole derivatives Ratiopharm GmbH (DE) 2007-09-19 EP disclosed
EP-1834944-A1 Process for preparing C7 intermediates and their use in the preparation on N-substituted pyrrole derivatives Ratiopharm GmbH (DE) 2007-09-19 EP 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-20110065920-A1 PROCESS FOR PREPARING PENTANOIC DIACID DERIVATIVES HMGCR, DPYD, FDPS GAA 744/4885MGAM 1973/4885SI 236/4885

“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.