SCHEMBL6483365

SCHEMBL6483365

CCCCOC(C(=O)O)P(=O)(OCC)OCC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
POLB P06746 1/20 0.37
LPAR3 Q9UBY5 6/20 0.36
LPAR1 Q92633 4/20 0.36
GAA P10253 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
LPAR2 Q9HBW0 2/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL6496046 0.93 LPAR3 (0.44) LPAR3LPAR1LPAR2TSHR
SCHEMBL6493288 0.89 POLB (0.39) CYP3A4POLBGAACA12CA1
SCHEMBL7110468 0.85 ALDH1A1 (0.41) CYP3A4LPAR3LPAR1CA12CA1
SCHEMBL2637224 0.83 POLB (0.42) CYP3A4POLBGAATSHRALDH1A1
SCHEMBL6492056 0.79 POLB (0.46) POLBGAATSHR
SCHEMBL7103296 0.79 LPAR3 (0.43) LPAR3LPAR1LPAR2TSHR
SCHEMBL6483396 0.78 POLB (0.44) POLBGAATSHR
SCHEMBL3633847 0.76 POLB (0.42) CYP3A4POLBGAATSHRCYP2C9
SCHEMBL7644205 0.74 CYP3A4 (0.35) CYP3A4POLBGAACA12CA1
SCHEMBL2976621 0.73 POLB (0.40) CYP3A4POLBGAATSHRALDH1A1

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 CYP3A4 540/4885POLB 886/4885LPAR3 634/4885

“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.