SCHEMBL5216010

SCHEMBL5216010

O=C(CCOC(=O)c1ccccc1)OC1OCCO1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39

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
SCHEMBL2533715 0.81 TDP1 (0.45) TDP1LMNASMN1; SMN2MAPK1HIF1A
SCHEMBL1930837 0.80 F2 (0.48) LMNASMN1; SMN2KMT2A
SCHEMBL16802312 0.74 TDP1 (0.50) TDP1LMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL11632239 0.73 BCHE (0.46) LMNAKMT2A
SCHEMBL172378 0.73 TDP1 (0.52) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL582774 0.72 TDP1 (0.70) TDP1LMNASMN1; SMN2MAPK1HIF1A
SCHEMBL10974892 0.72 LMNA (0.66) TDP1LMNASMN1; SMN2MAPK1HIF1A
SCHEMBL137486 0.72 TDP1 (0.83) TDP1LMNASMN1; SMN2MAPK1HIF1A
SCHEMBL28525418 0.71 TDP1 (0.68) TDP1LMNASMN1; SMN2MAPK1HIF1A
SCHEMBL6935004 0.71 TDP1 (0.68) TDP1LMNASMN1; SMN2MAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1265890-B1 STEREOSELECTIVE SYNTHESIS OF NUCLEOSIDE ANALOGUES SHIRE BIOCHEM INC (CA) 2007-04-18 EP disclosed
US-6743910-B2 VIRICIDES, ANTICANCER AGENTS BIOCHEM PHARMA, INC. (CA) 2004-06-01 US disclosed
US-20030187262-A1 Stereoselective synthesis of nucleoside analogues BIOCHEM PHARMA INC. (CA) 2003-10-02 US disclosed
US-6541625-B2 Stereoselectively hydrolyzing an anomeric mixture of 2-benzoyloxydioxolanecarboxylate with an enzyme; separating product; replacing carboxylate by reaction with a purine or pyrimidinyl derivative BIOCHEM PHARMA, INC. (CA) 2003-04-01 US disclosed
US-20020006635-A1 Stereoselective synthesis of nucleoside analogues BIOCHEM PHARMA, INC. (CA) 2002-01-17 US 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-20030187262-A1 Stereoselective synthesis of nucleoside analogues PNP, CTRC, CPN1 TDP1 1393/4885LMNA 346/4885SMN1; SMN2 758/4885

“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.