SCHEMBL1114844

SCHEMBL1114844

CCN(C(=O)CCCCCCC(=O)O)c1ccccc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.51
LMNA P02545 1/20 0.51
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
BCHE P06276 3/20 0.49
ACHE P22303 3/20 0.49
TRPM8 Q7Z2W7 1/20 0.48
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 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
SCHEMBL1114960 1.00 CYP3A4 (0.51) CYP3A4LMNAALDH1A1TP53BCHE
SCHEMBL1114955 1.00 CYP3A4 (0.51) CYP3A4LMNAALDH1A1TP53BCHE
SCHEMBL1114992 0.98 CYP3A4 (0.52) CYP3A4LMNAALDH1A1TP53BCHE
SCHEMBL1114970 0.89 CYP3A4 (0.55) CYP3A4LMNAALDH1A1TP53TRPM8
SCHEMBL12679863 0.89 CYP3A4 (0.49) CYP3A4LMNAALDH1A1TP53BCHE
SCHEMBL13468874 0.88 CYP3A4 (0.51) CYP3A4LMNAALDH1A1TP53BCHE
SCHEMBL12679884 0.88 CYP3A4 (0.51) CYP3A4LMNAALDH1A1TP53BCHE
SCHEMBL12679894 0.88 CYP3A4 (0.51) CYP3A4LMNAALDH1A1TP53BCHE
SCHEMBL4061022 0.88 TP53 (0.59) CYP3A4LMNAALDH1A1TP53BCHE
SCHEMBL12679867 0.87 CYP3A4 (0.52) CYP3A4LMNAALDH1A1TP53BCHE

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 CYP3A4 3303/4885LMNA 350/4885ALDH1A1 2208/4885

“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.