SCHEMBL6496046

SCHEMBL6496046

CCCCCCOC(C(=O)O)P(=O)(OCC)OCC

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 7/20 0.44
LPAR1 Q92633 6/20 0.44
LPAR2 Q9HBW0 3/20 0.44
LPAR5 Q9H1C0 1/20 0.39
CETP P11597 3/20 0.38
PPARG P37231 2/20 0.37
PPARA Q07869 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL6483365 0.93 CYP3A4 (0.39) LPAR3LPAR1LPAR2TSHR
SCHEMBL6493288 0.86 POLB (0.39) TSHR
SCHEMBL7103296 0.86 LPAR3 (0.43) LPAR3LPAR1LPAR2LPAR5TSHR
SCHEMBL2637224 0.81 POLB (0.42) TP53TSHR
SCHEMBL7110468 0.79 ALDH1A1 (0.41) LPAR3LPAR1LPAR2TSHR
SCHEMBL6483396 0.79 POLB (0.44) CETPTSHR
SCHEMBL10343841 0.75 LPAR3 (0.44) LPAR3LPAR1LPAR2LPAR5
SCHEMBL13924959 0.73 GPR84 (0.47)
SCHEMBL5326687 0.73 GPR84 (0.47)
SCHEMBL4229201 0.73 GPR84 (0.47)

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 5 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
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
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

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 LPAR3 634/4885LPAR1 331/4885LPAR2 566/4885

“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.