SCHEMBL1114830

SCHEMBL1114830

CC(C)N(C(=O)CCC(=O)O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
LMNA P02545 2/20 0.67
TP53 P04637 2/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
MLYCD O95822 2/20 0.50
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NR4A2 P43354 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.44
ATM Q13315 1/20 0.42
OPRM1 P35372 1/20 0.42
GAA P10253 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL1114986 0.90 ALDH1A1 (0.63) ALDH1A1LMNATP53SMN1; SMN2MLYCD
SCHEMBL1114982 0.90 ALDH1A1 (0.63) ALDH1A1LMNATP53SMN1; SMN2MLYCD
SCHEMBL1114800 0.88 ALDH1A1 (0.61) ALDH1A1LMNATP53SMN1; SMN2MLYCD
SCHEMBL1114760 0.88 ALDH1A1 (0.61) ALDH1A1LMNATP53SMN1; SMN2MLYCD
SCHEMBL1114834 0.88 ALDH1A1 (0.61) ALDH1A1LMNATP53SMN1; SMN2MLYCD
SCHEMBL1114751 0.88 ALDH1A1 (0.61) ALDH1A1LMNATP53SMN1; SMN2MLYCD
SCHEMBL26002725 0.84 ALDH1A1 (0.65) ALDH1A1LMNATP53SMN1; SMN2MLYCD
SCHEMBL307253 0.84 ALDH1A1 (0.69) ALDH1A1LMNATP53SMN1; SMN2MLYCD
SCHEMBL9403533 0.81 ALDH1A1 (0.71) ALDH1A1LMNATP53SMN1; SMN2MLYCD
SCHEMBL12821356 0.81 ALDH1A1 (0.71) ALDH1A1LMNATP53SMN1; SMN2MLYCD

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
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

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 2208/4885LMNA 350/4885TP53 513/4885

“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.