SCHEMBL2743019

SCHEMBL2743019

CC(=O)OC(=O)CONC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.39
CA2 P00918 2/20 0.36
CA12 O43570 2/20 0.36
CA14 Q9ULX7 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 2/20 0.34
CA7 P43166 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CYP2D6 P10635 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSK P43235 3/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL857233 0.91 APLNR (0.42) APLNRCA2CA12CA14TDP1
SCHEMBL24506767 0.83 APLNR (0.42) APLNRCA2CA12CA14TDP1
SCHEMBL22030517 0.83 CA12 (0.46) APLNRCA2CA12CA14TDP1
SCHEMBL12662923 0.83 APLNR (0.37) APLNRCA2CA12CA14TDP1
SCHEMBL12155186 0.81 APLNR (0.43) APLNRCA2CA12CA14TDP1
SCHEMBL16747755 0.78 APLNR (0.41) APLNRCA2CA12CA14TDP1
SCHEMBL14077932 0.77 MAOA (0.45) APLNRCA2CA12CA14TDP1
SCHEMBL307685 0.77 APLNR (0.43) APLNRCA2CA12CA14TDP1
SCHEMBL12337377 0.77 APLNR (0.33) APLNRCA2CA12CA14CA1
SCHEMBL16789211 0.76 APLNR (0.42) APLNRCA2CA12CA14TDP1

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
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-2010074935-A1 SYNTHESIS OF OBTAINING MODIFIED POLYETHYLENE GLYCOL INTERMEDIATES GE HEALTHCARE LIMITED (GB) 2010-07-01 WO 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 226/4885CA2 4614/4885CA12 2226/4885
US-20100324264-A1 SYNTHESIS OF A PEG-6 MOIETY FROM COMMERCIAL LOW-COST CHEMICALS GAS6, LNPEP, BMP6 APLNR 167/4885CA2 4294/4885CA12 1799/4885

“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.