SCHEMBL3397614

SCHEMBL3397614

O=C(O)OCCOC(=O)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.73
LMNA P02545 2/20 0.68
MAPK1 P28482 1/20 0.59
HIF1A Q16665 1/20 0.59
SLC6A2 P23975 1/20 0.59
SLC6A3 Q01959 1/20 0.59
KMT2A Q03164 1/20 0.59
ESR1 P03372 1/20 0.58
ESR2 Q92731 1/20 0.58
ALDH1A1 P00352 2/20 0.57
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
F2 P00734 1/20 0.54
TSHR P16473 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL137486 0.93 TDP1 (0.83) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL27782523 0.92 TDP1 (0.81) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL28286830 0.91 TDP1 (0.79) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL13292516 0.91 TDP1 (0.79) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL547137 0.91 TDP1 (0.79) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL16217656 0.91 TDP1 (0.79) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL27993246 0.91 TDP1 (0.59) TDP1LMNAMAPK1HIF1ASLC6A2
Ethylene SCHEMBL8622525 0.89 TDP1 (0.76) TDP1LMNAMAPK1HIF1ASLC6A2
Ethylene SCHEMBL11578922 0.89 TDP1 (0.76) TDP1LMNAMAPK1HIF1ASLC6A2
Ethylene SCHEMBL9928862 0.89 TDP1 (0.76) TDP1LMNAMAPK1HIF1ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250143-B1 METHOD FOR THE ENZYMATIC KINETIC RESOLUTION OF ACYLOXYALKYL THIOCARBONATES USED FOR THE SYNTHESIS OF ACYLOXYALKYL CARBAMATES XENOPORT INC (US) 2016-04-20 EP disclosed
EP-2250143-A2 METHOD FOR THE ENZYMATIC KINETIC RESOLUTION OF ACYLOXYALKYL THIOCARBONATES USED FOR THE SYNTHESIS OF ACYLOXYALKYL CARBAMATES XenoPort, Inc. (US) 2010-11-17 EP disclosed
WO-2009094569-A2 METHOD FOR THE ENZYMATIC KINETIC RESOLUTION OF ACYLOXYALKYL THIOCARBONATES USED FOR THE SYNTHESIS OF ACYLOXYALKYL CARBAMATES XENOPORT, INC. (US) 2009-07-30 WO disclosed
US-20090192325-A1 ENANTIOMERICALLY RESOLVING ACYLOXYALKYL THIOCARBONATES USED IN SYNTHESIZING ACYLOXYALKYL CARBAMATE PRODRUGS XENOPORT, INC. (US) 2009-07-30 US disclosed
US-20090082464-A1 EXTERNALLY MASKED NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. 2009-03-26 US disclosed
WO-2009033079-A1 EXTERNALLY MASKED NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2009-03-12 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-20090192325-A1 ENANTIOMERICALLY RESOLVING ACYLOXYALKYL THIOCARBONATES USED IN SYNTHESIZING ACYLOXYALKYL CARBAMATE PRODRUGS AADAC, NAAA, APEH TDP1 815/4885LMNA 4118/4885MAPK1 4832/4885
US-20090082464-A1 EXTERNALLY MASKED NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE AASDHPPT, ADSL, NAPEPLD TDP1 1752/4885LMNA 2626/4885MAPK1 4881/4885

“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.