SCHEMBL1114871

SCHEMBL1114871

CCN(C(=O)CC(C)CC(=O)O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
GLA P06280 1/20 0.56
TSHR P16473 1/20 0.56
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TP53 P04637 3/20 0.46
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTT P42858 1/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL12679839 0.89 ALDH1A1 (0.54) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL1115041 0.86 CYP3A4 (0.48) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL12679660 0.84 NPC1 (0.58) ALDH1A1GLAMEN1KMT2AHTT
SCHEMBL12855894 0.83 ALDH1A1 (0.51) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL20369046 0.82 ALDH1A1 (0.58) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL12679688 0.82 CYP3A4 (0.50) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL2222871 0.81 ALDH1A1 (0.53) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL1114991 0.80 KMT2A (0.47) ALDH1A1MEN1KMT2ATP53KDM4E
SCHEMBL1114956 0.79 ALDH1A1 (0.63) ALDH1A1MEN1KMT2ATP53KDM4E
SCHEMBL308738 0.78 ALDH1A1 (0.66) ALDH1A1GLATSHRMEN1KMT2A

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 8 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

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.