SCHEMBL1114803

SCHEMBL1114803

CCN(C(=O)CCCCCCCCC(=O)O)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
GLA P06280 1/20 0.58
TSHR P16473 1/20 0.58
TP53 P04637 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LTB4R2 Q9NPC1 4/20 0.48
NPC1 O15118 1/20 0.48
JAK2 O60674 1/20 0.48
RAB9A P51151 1/20 0.48
PAX8 Q06710 1/20 0.48
MAPT P10636 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47

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
SCHEMBL1115056 1.00 ALDH1A1 (0.58) ALDH1A1GLATSHRTP53SMN1; SMN2
SCHEMBL1114818 0.98 ALDH1A1 (0.59) ALDH1A1GLATSHRTP53SMN1; SMN2
SCHEMBL1114719 0.95 ALDH1A1 (0.59) ALDH1A1GLATSHRTP53SMN1; SMN2
SCHEMBL11518360 0.90 TP53 (0.60) ALDH1A1GLATSHRTP53SMN1; SMN2
SCHEMBL17439411 0.90 TP53 (0.60) ALDH1A1GLATSHRTP53SMN1; SMN2
SCHEMBL12679904 0.89 ALDH1A1 (0.56) ALDH1A1GLATSHRTP53SMN1; SMN2
SCHEMBL12679850 0.89 ALDH1A1 (0.56) ALDH1A1GLATSHRTP53SMN1; SMN2
SCHEMBL12679891 0.87 ALDH1A1 (0.58) ALDH1A1GLATSHRTP53SMN1; SMN2
SCHEMBL17333743 0.86 TP53 (0.64) ALDH1A1GLATSHRTP53SMN1; SMN2
SCHEMBL1115164 0.86 CYP3A4 (0.49) ALDH1A1GLATSHRTP53SMN1; SMN2

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 6 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
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 2208/4885GLA 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.