SCHEMBL1114719

SCHEMBL1114719

CCN(C(=O)CCCC(=O)O)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
GLA P06280 1/20 0.59
TSHR P16473 1/20 0.59
TP53 P04637 2/20 0.57
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LTB4R2 Q9NPC1 5/20 0.49
MLYCD O95822 1/20 0.47
NPC1 O15118 1/20 0.45
JAK2 O60674 1/20 0.45
RAB9A P51151 1/20 0.45
PAX8 Q06710 1/20 0.45
AGTR1 P30556 1/20 0.45

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
SCHEMBL1114818 0.97 ALDH1A1 (0.59) ALDH1A1GLATSHRTP53MEN1
SCHEMBL1114803 0.95 ALDH1A1 (0.58) ALDH1A1GLATSHRTP53MEN1
SCHEMBL1115056 0.95 ALDH1A1 (0.58) ALDH1A1GLATSHRTP53MEN1
SCHEMBL17333743 0.88 TP53 (0.64) ALDH1A1GLATSHRTP53MEN1
SCHEMBL12679915 0.87 ALDH1A1 (0.56) ALDH1A1GLATSHRTP53MEN1
SCHEMBL1115014 0.85 CYP3A4 (0.50) ALDH1A1GLATSHRTP53SMN1; SMN2
SCHEMBL12679891 0.85 ALDH1A1 (0.58) ALDH1A1GLATSHRTP53MEN1
SCHEMBL17439411 0.85 TP53 (0.60) ALDH1A1GLATSHRTP53MEN1
SCHEMBL11518360 0.85 TP53 (0.60) ALDH1A1GLATSHRTP53MEN1
SCHEMBL5595921 0.84 TP53 (0.79) ALDH1A1GLATSHRTP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756039-B1 Compounds and compositions for delivering active agents EMISPHERE TECH INC (US) 2012-10-17 EP disclosed
EP-1756039-B1 Compounds and compositions for delivering active agents EMISPHERE TECH INC (US) 2012-10-17 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
EP-2279732-A2 Compounds and compositions for delivering active agents Emisphere Technologies, Inc. (US) 2011-02-02 EP 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
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 ALDH1A1 2208/4885GLA 208/4885TSHR 3946/4885

“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.