SCHEMBL1114751

SCHEMBL1114751

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
LMNA P02545 2/20 0.61
TP53 P04637 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
MLYCD O95822 2/20 0.47
MAPT P10636 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
KDM4A O75164 2/20 0.43

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
SCHEMBL1114834 1.00 ALDH1A1 (0.61) ALDH1A1LMNATP53SMN1; SMN2HDAC3
SCHEMBL1114760 1.00 ALDH1A1 (0.61) ALDH1A1LMNATP53SMN1; SMN2HDAC3
SCHEMBL1114800 1.00 ALDH1A1 (0.61) ALDH1A1LMNATP53SMN1; SMN2HDAC3
SCHEMBL1114986 0.98 ALDH1A1 (0.63) ALDH1A1LMNATP53SMN1; SMN2HDAC3
SCHEMBL1114982 0.95 ALDH1A1 (0.63) ALDH1A1LMNATP53SMN1; SMN2HDAC3
SCHEMBL12679837 0.89 ALDH1A1 (0.59) ALDH1A1LMNATP53SMN1; SMN2MLYCD
SCHEMBL11815719 0.89 ALDH1A1 (0.59) ALDH1A1LMNATP53SMN1; SMN2MLYCD
SCHEMBL12679943 0.89 ALDH1A1 (0.59) ALDH1A1LMNATP53SMN1; SMN2MLYCD
SCHEMBL13468805 0.89 ALDH1A1 (0.59) ALDH1A1LMNATP53SMN1; SMN2MLYCD
SCHEMBL12679889 0.89 ALDH1A1 (0.59) 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 7 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
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.