SCHEMBL2743023

SCHEMBL2743023

CC(C)(C)OC(=O)NOCC(=O)NCCOCCOCCOCCOCCOCCNC(=O)COCC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.37
ADORA1 P30542 5/20 0.36
GLP1R P43220 5/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
GBA1 P04062 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SUCNR1 Q9BXA5 1/20 0.33
IDO1 P14902 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL13014750 1.00 APLNR (0.37) APLNRADORA1GLP1RMEN1GAA
SCHEMBL15757814 0.97 ADORA1 (0.38) APLNRADORA1GLP1RMEN1GAA
SCHEMBL12143361 0.92 APLNR (0.42) APLNRADORA1MEN1GAAKMT2A
SCHEMBL23818338 0.89 TDP1 (0.43) APLNRADORA1MEN1GAAKMT2A
SCHEMBL9971647 0.89 MEN1 (0.44) ADORA1GLP1RMEN1GAAKMT2A
SCHEMBL13077420 0.89 MEN1 (0.44) ADORA1GLP1RMEN1GAAKMT2A
SCHEMBL3486898 0.89 MEN1 (0.44) ADORA1GLP1RMEN1GAAKMT2A
SCHEMBL29679063 0.89 MEN1 (0.44) ADORA1GLP1RMEN1GAAKMT2A
SCHEMBL11988183 0.88 APLNR (0.35) APLNRADORA1MEN1GAAKMT2A
SCHEMBL14258504 0.87 ADORA1 (0.37) APLNRADORA1GLP1RMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536375-B2 Synthesis of obtaining modified polyethylene glycol intermediates GE HEALTHCARE LIMITED (GB) 2013-09-17 US disclosed
US-8536375-B2 Synthesis of obtaining modified polyethylene glycol intermediates GE HEALTHCARE LIMITED (GB) 2013-09-17 US disclosed
US-8415510-B2 Synthesis of a PEG-6 moiety from commercial low-cost chemicals GE HEALTHCARE LIMITED (GB) 2013-04-09 US disclosed
US-8415510-B2 Synthesis of a PEG-6 moiety from commercial low-cost chemicals GE HEALTHCARE LIMITED (GB) 2013-04-09 US disclosed
EP-2268609-B1 Synthesis of a PEG-6 moiety from commercial low-cost chemicals GE HEALTHCARE LTD (GB) 2013-01-30 EP disclosed
US-20120004423-A1 SYNTHESIS OF OBTAINING MODIFIED POLYETHYLENE GLYCOL INTERMEDIATES GE HEALTHCARE LIMITED (GB) 2012-01-05 US disclosed
US-20120004423-A1 SYNTHESIS OF OBTAINING MODIFIED POLYETHYLENE GLYCOL INTERMEDIATES GE HEALTHCARE LIMITED (GB) 2012-01-05 US disclosed
US-20100324264-A1 SYNTHESIS OF A PEG-6 MOIETY FROM COMMERCIAL LOW-COST CHEMICALS GE HEALTHCARE LIMITED (GB) 2010-12-23 US disclosed
US-20100324264-A1 SYNTHESIS OF A PEG-6 MOIETY FROM COMMERCIAL LOW-COST CHEMICALS GE HEALTHCARE LIMITED (GB) 2010-12-23 US disclosed
WO-2009108484-A1 SYNTHESIS OF A PEG-6 MOIETY FROM COMMERCIAL LOW-COST CHEMICALS GE HEALTHCARE LIMITED (GB) 2009-09-03 WO 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 (2 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-20120004423-A1 SYNTHESIS OF OBTAINING MODIFIED POLYETHYLENE GLYCOL INTERMEDIATES COASY, DHPS, FASN APLNR 226/4885ADORA1 4613/4885GLP1R 3094/4885
US-20100324264-A1 SYNTHESIS OF A PEG-6 MOIETY FROM COMMERCIAL LOW-COST CHEMICALS GAS6, LNPEP, BMP6 APLNR 167/4885ADORA1 4534/4885GLP1R 497/4885

“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.