SCHEMBL1114725

SCHEMBL1114725

CN(C(=O)CCCCCCCCC(=O)O)c1ccc(C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.54
KMT2A Q03164 2/20 0.50
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
RORC P51449 1/20 0.43
FOLH1 Q04609 2/20 0.43
MMP2 P08253 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.40
HTT P42858 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4A O75164 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL1115030 1.00 PGR (0.54) PGRKMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL1115145 1.00 PGR (0.54) PGRKMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL1114974 1.00 PGR (0.54) PGRKMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL12679947 0.89 PGR (0.52) PGRKMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL12679931 0.89 PGR (0.52) PGRKMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL12679932 0.88 PGR (0.54) PGRKMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL12679949 0.88 PGR (0.54) PGRKMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL1114866 0.81 FOLH1 (0.46) KMT2AFOLH1HTTHDAC1HDAC2
SCHEMBL1114990 0.81 FOLH1 (0.46) KMT2AFOLH1HTTHDAC1HDAC2
SCHEMBL1114717 0.81 FOLH1 (0.46) KMT2AFOLH1HTTHDAC1HDAC2

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 PGR 1313/4885KMT2A 4537/4885CHRNB2 2687/4885

“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.