SCHEMBL6500458

SCHEMBL6500458

CCCCCCOC(Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.51
PPARG P37231 3/20 0.48
PPARD Q03181 2/20 0.48
NR5A1 Q13285 1/20 0.47
ESR1 P03372 3/20 0.46
ADRA2A P08913 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
TACR2 P21452 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SHBG P04278 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
HSPD1 P10809 1/20 0.46
ADRB3 P13945 1/20 0.46
HTR2C P28335 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
SCHEMBL7102284 1.00 PPARA (0.51) PPARAPPARGPPARDNR5A1ESR1
SCHEMBL7102287 1.00 PPARA (0.51) PPARAPPARGPPARDNR5A1ESR1
SCHEMBL5607507 0.94 PPARA (0.57) PPARAPPARGPPARDESR1LMNA
SCHEMBL7103261 0.94 PPARA (0.57) PPARAPPARGPPARDESR1LMNA
SCHEMBL7108636 0.94 PPARA (0.57) PPARAPPARGPPARDESR1LMNA
SCHEMBL4041857 0.88 PPARA (0.53) PPARAPPARGPPARD
SCHEMBL10697327 0.88 PPARA (0.53) PPARAPPARGPPARD
SCHEMBL8084774 0.88 PPARA (0.53) PPARAPPARGPPARD
SCHEMBL7630188 0.88 PPARA (0.56) PPARAPPARGPPARDESR1SLC6A2
SCHEMBL543191 0.88 PPARA (0.56) PPARAPPARGPPARDESR1SLC6A2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867218-B2 Compounds, their preparation and use NOVO NORDISK A/S (DK) 2005-03-15 US disclosed
US-20030195200-A1 Compounds, their preparation and use VTVX HOLDINGS II LLC 2003-10-16 US disclosed
US-6555577-B1 For treatment and/or prevention of conditions mediated by the Peroxisome Proliferator-Activated Receptors (PPAR), such as diabetes and/or obesity; 3-(4-(3-Biphenyl-4-yl-but-2-enyloxy)-phenyl)-2-butoxy-propionic acid for example NOVO NORDISK A/S (DE) 2003-04-29 US disclosed
US-20030008361-A1 Process for the preparation of substituted 3-phenyl-propanoic acid esters and substituted 3-phenyl-propanoic acids EBDRUP SOREN (DK) 2003-01-09 US disclosed
EP-1254101-A1 PROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY Novo Nordisk A/S (DK) 2002-11-06 EP disclosed
CN-1375013-A Process for the preparation of substituted 3-phenyl-propanoic acid esters and substituted 3-phenyl-propanoic acids NOVO NORDISK AS (DK) 2002-10-16 CN disclosed
EP-1206565-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 3-PHENYL-PROPANOIC ACID ESTERS AND SUBSTITUTED 3-PHENYL-PROPANOIC ACIDS NOVO NORDISK A/S (DK) 2002-05-22 EP disclosed
WO-2001055085-A1 PROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY NOVO NORDISK A/S (DK) 2001-08-02 WO disclosed
WO-2001011073-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 3-PHENYL-PROPANOIC ACID ESTERS AND SUBSTITUTED 3-PHENYL-PROPANOIC ACIDS NOVO NORDISK A/S (DK) 2001-02-15 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 (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-20030195200-A1 Compounds, their preparation and use PPARG, PPARA, PPARD PPARA 2/4885PPARG 1/4885PPARD 3/4885

“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.