SCHEMBL2743022

SCHEMBL2743022

CC(C)(C)OC(=O)NOCC(=O)NCCOCCO

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
APLNR P35414 1/20 0.36
LMNA P02545 1/20 0.35
CA1 P00915 5/20 0.35
CA2 P00918 5/20 0.35
CA12 O43570 4/20 0.35
CA9 Q16790 4/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
ADORA1 P30542 4/20 0.33
IDO1 P14902 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
SCHEMBL12143361 0.93 APLNR (0.42) TDP1APLNRCA1CA2CA12
SCHEMBL14679532 0.90 APLNR (0.38) TDP1APLNRCA1CA2CA12
SCHEMBL23818338 0.90 TDP1 (0.43) TDP1APLNRCA1CA2CA12
SCHEMBL17655693 0.87 APLNR (0.38) TDP1APLNRCA1CA2CA12
SCHEMBL12028861 0.86 APLNR (0.38) TDP1APLNRCA1CA2CA12
SCHEMBL15765901 0.86 APLNR (0.38) TDP1APLNRCA1CA2CA12
SCHEMBL11988183 0.86 APLNR (0.35) TDP1APLNRCA1CA2CA12
SCHEMBL13014750 0.85 APLNR (0.37) TDP1APLNRCA1CA2CA12
SCHEMBL2743023 0.85 APLNR (0.37) TDP1APLNRCA1CA2CA12
SCHEMBL15757814 0.85 ADORA1 (0.38) TDP1APLNRCA1CA2CA12

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 9 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

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 TDP1 4462/4885APLNR 226/4885LMNA 1577/4885
US-20100324264-A1 SYNTHESIS OF A PEG-6 MOIETY FROM COMMERCIAL LOW-COST CHEMICALS GAS6, LNPEP, BMP6 TDP1 4742/4885APLNR 167/4885LMNA 2469/4885

“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.