SCHEMBL12679652

SCHEMBL12679652

O=C(O)CC(=O)N(c1ccccc1)C1CCCCC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MITF O75030 2/20 0.72
ALDH1A1 P00352 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
KDM4E B2RXH2 1/20 0.72
MEN1 O00255 1/20 0.72
NPC1 O15118 1/20 0.72
RAB9A P51151 1/20 0.72
KMT2A Q03164 1/20 0.72
PAX8 Q06710 1/20 0.72
TRPM8 Q7Z2W7 4/20 0.55
ENPP2 Q13822 1/20 0.50
MLYCD O95822 1/20 0.49
CHRM3 P20309 4/20 0.48
CHRM2 P08172 3/20 0.48
OPRD1 P41143 6/20 0.47
OPRM1 P35372 7/20 0.47
SIGMAR1 Q99720 2/20 0.47
OPRL1 P41146 1/20 0.46
OPRK1 P41145 5/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL12679808 0.88 MITF (0.68) MITFALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL15858919 0.86 KCNH2 (0.57) MITFALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL12679651 0.86 MEN1 (0.70) MITFALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL7905910 0.85 MITF (0.74) MITFALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL5992122 0.85 MITF (0.74) MITFALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL15858837 0.85 KDM4E (0.54) MITFALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL15858947 0.85 KDM4E (0.54) MITFALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL5995175 0.84 MITF (0.72) MITFALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL5992289 0.84 ALDH1A1 (1.00) MITFALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL18569422 0.84 KDM4E (0.72) MITFALDH1A1SMN1; SMN2KDM4EMEN1

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 MITF 2695/4885ALDH1A1 2208/4885SMN1; SMN2 119/4885

“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.