SCHEMBL2909876

SCHEMBL2909876

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 6/20 0.40
ALOX15 P16050 3/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD17B10 Q99714 2/20 0.39
CHRM1 P11229 1/20 0.39
ADORA1 P30542 1/20 0.39
TRPA1 O75762 1/20 0.39
CYP1A2 P05177 1/20 0.38
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL8076573 1.00 MGAM (0.41) MGAMGAASIMGAM2NPC1
SCHEMBL12787264 0.83 MGAM (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL10211471 0.82 NPC1 (0.44) MGAMGAASIMGAM2NPC1
SCHEMBL1873215 0.81 GAA (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1258369 0.81 GAA (0.55) MGAMGAASIMGAM2ALDH1A1
SCHEMBL14424622 0.81 MGAM (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2912543 0.80 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL13286122 0.80 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2906592 0.80 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2912840 0.80 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1

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-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 MGAM 1973/4885GAA 744/4885SI 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.