SCHEMBL4614728

SCHEMBL4614728

COc1ccc(O)c(C(=O)OC(C)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.54
ALDH1A1 P00352 3/20 0.54
CYP3A4 P08684 2/20 0.54
MAPK1 P28482 2/20 0.54
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
KDM4E B2RXH2 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HSD17B10 Q99714 3/20 0.50
LMNA P02545 2/20 0.50
TP53 P04637 2/20 0.50

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
Methyl 2-Hydroxy-5-Methoxybenzoate SCHEMBL643758 0.84 CA1 (0.72) HPGDALDH1A1CYP3A4MAPK1NPC1
SCHEMBL5267852 0.84 CA12 (0.67) HPGDALDH1A1CYP3A4MAPK1CA12
Methyl 2-Hydroxy-5-Methoxybenzoate SCHEMBL29709382 0.84 CA1 (0.72) HPGDALDH1A1CYP3A4MAPK1NPC1
SCHEMBL11615858 0.83 ALDH1A1 (0.46) HPGDALDH1A1CYP3A4MAPK1NPC1
SCHEMBL29445806 0.82 ALDH1A1 (0.72) HPGDALDH1A1CYP3A4MAPK1NPC1
SCHEMBL312754 0.82 ALDH1A1 (0.72) HPGDALDH1A1CYP3A4MAPK1NPC1
SCHEMBL28093168 0.80 RAB9A (0.71) HPGDALDH1A1CYP3A4MAPK1NPC1
SCHEMBL28548926 0.79 HPGD (0.58) HPGDALDH1A1CYP3A4MAPK1NPC1
SCHEMBL128781 0.78 CA1 (0.61) HPGDALDH1A1CYP3A4MAPK1NPC1
SCHEMBL29431885 0.78 CA1 (0.61) HPGDALDH1A1CYP3A4MAPK1NPC1

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-1237872-B1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2008-02-27 EP disclosed
EP-1237872-A4 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2005-06-15 EP disclosed
US-20050042274-A1 Compounds and compositions for delivering active agents MHR INSTITUTIONAL PARTNERS IIA LP 2005-02-24 US disclosed
US-6693208-B2 AMINO ACIDS WHICH DELIVER ACTIVE AGENTS TO SELECTED BIOLOGICAL SYSTEMS IN INCREASED OR IMPROVED BIOAVAILABILITY EMISPHERE TECHNOLOGIES, INC. 2004-02-17 US disclosed
US-20030216589-A1 Compounds and compositions for delivering active agents NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2003-11-20 US disclosed
EP-1237872-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS Emisphere Technologies, Inc. (US) 2002-09-11 EP disclosed
WO-2001044199-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2001-06-21 WO 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 (2 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-20030216589-A1 Compounds and compositions for delivering active agents IDUA, ALG1, APOB HPGD 2736/4885ALDH1A1 3939/4885CYP3A4 4837/4885
US-20050042274-A1 Compounds and compositions for delivering active agents SERPINB1, ELANE, MMP8 HPGD 861/4885ALDH1A1 2208/4885CYP3A4 3303/4885

“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.