SCHEMBL1114933

SCHEMBL1114933

COc1ccc(C(=O)c2ccccc2)c(OCCCC(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.64
KDM4E B2RXH2 2/20 0.62
LMNA P02545 6/20 0.58
HTT P42858 4/20 0.58
MAPK1 P28482 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C19 P33261 2/20 0.58
HPGD P15428 2/20 0.58
ALDH1A1 P00352 1/20 0.58
PGR P06401 1/20 0.58
CYP2D6 P10635 1/20 0.58
SLC6A2 P23975 1/20 0.58
PDE4A P27815 1/20 0.58
HRH1 P35367 1/20 0.58
SLC6A3 Q01959 1/20 0.58
PDE4D Q08499 1/20 0.58
NPC1 O15118 1/20 0.57
PPARA Q07869 1/20 0.55
PTPN1 P18031 1/20 0.54
MAPT P10636 6/20 0.53

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
SCHEMBL3182853 0.88 NPC1 (0.68) POLBKDM4ELMNAHTTCYP1A2
SCHEMBL5578338 0.88 POLB (0.65) POLBKDM4ELMNAHTTMAPK1
SCHEMBL20834079 0.88 POLB (0.59) POLBKDM4ELMNAHTTMAPK1
SCHEMBL29260273 0.86 POLB (0.67) POLBKDM4ELMNAHTTMAPK1
SCHEMBL1115022 0.86 LMNA (0.63) POLBKDM4ELMNAHTTMAPK1
SCHEMBL9856196 0.85 POLB (0.76) POLBKDM4ELMNAHTTMAPK1
SCHEMBL7566083 0.83 MAPT (0.52) POLBLMNAHTTMAPK1CYP1A2
SCHEMBL3224251 0.83 NPC1 (0.81) POLBKDM4ELMNAHTTMAPK1
SCHEMBL30205105 0.83 NPC1 (0.81) POLBKDM4ELMNAHTTMAPK1
SCHEMBL4536547 0.82 POLB (0.61) POLBKDM4ELMNAHTTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279732-B1 Compounds and compositions for delivering active agents EMISPHERE TECH INC (US) 2019-03-20 EP claimed
EP-2279732-B1 Compounds and compositions for delivering active agents EMISPHERE TECH INC (US) 2019-03-20 EP disclosed
EP-2279732-B1 Compounds and compositions for delivering active agents EMISPHERE TECH INC (US) 2019-03-20 EP disclosed
US-8273794-B2 7-[isopropyl(phenyl)amino]-7-oxoheptanoic acid, 3-(2-Hydroxy-benzoylamino)-butyric acid, 4-Oxo-4-phenyl-butyric acid, 10-(2-Hydroxy-phenyl)-10-oxo-decanoic acid, 4-(4-Methoxy-phenyl)-4-oxo-butyric acid: promoting the absorption of the active agent EMISPHERE TECHNOLOGIES, INC. (US) 2012-09-25 US disclosed
US-8273794-B2 7-[isopropyl(phenyl)amino]-7-oxoheptanoic acid, 3-(2-Hydroxy-benzoylamino)-butyric acid, 4-Oxo-4-phenyl-butyric acid, 10-(2-Hydroxy-phenyl)-10-oxo-decanoic acid, 4-(4-Methoxy-phenyl)-4-oxo-butyric acid: promoting the absorption of the active agent EMISPHERE TECHNOLOGIES, INC. (US) 2012-09-25 US disclosed
US-8273794-B2 7-[isopropyl(phenyl)amino]-7-oxoheptanoic acid, 3-(2-Hydroxy-benzoylamino)-butyric acid, 4-Oxo-4-phenyl-butyric acid, 10-(2-Hydroxy-phenyl)-10-oxo-decanoic acid, 4-(4-Methoxy-phenyl)-4-oxo-butyric acid: promoting the absorption of the active agent EMISPHERE TECHNOLOGIES, INC. (US) 2012-09-25 US disclosed
EP-2279732-A2 Compounds and compositions for delivering active agents Emisphere Technologies, Inc. (US) 2011-02-02 EP disclosed
US-20080255250-A1 Compounds and Compositions for Delivering Active Agents EMISPHERE TECHNOLOGIES, INC. (US) 2008-10-16 US disclosed
US-20080255250-A1 Compounds and Compositions for Delivering Active Agents EMISPHERE TECHNOLOGIES, INC. (US) 2008-10-16 US disclosed
US-20080255250-A1 Compounds and Compositions for Delivering Active Agents EMISPHERE TECHNOLOGIES, INC. (US) 2008-10-16 US disclosed
EP-1756039-A4 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2007-05-02 EP disclosed
EP-1756039-A2 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS Emisphere Technologies, Inc. (US) 2007-02-28 EP disclosed
WO-2005112633-A2 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2005-12-01 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 (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-20080255250-A1 Compounds and Compositions for Delivering Active Agents SERPINB1, ELANE, MMP8 POLB 985/4885KDM4E 4605/4885LMNA 350/4885

“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.