SCHEMBL6495475

SCHEMBL6495475

CCOC(=O)C=Cc1cc(Br)cc(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.59
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
TTR P02766 1/20 0.58
DPP4 P27487 1/20 0.58
MAOB P27338 1/20 0.52
FDPS P14324 1/20 0.50
PTGS2 P35354 1/20 0.50
AKR1C3 P42330 1/20 0.49
PKM P14618 1/20 0.49
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL6495473 1.00 CYP3A4 (0.59) CYP3A4CA12CA1CA2CA7
SCHEMBL30671447 0.92 CYP3A4 (0.55) CYP3A4CA12CA1CA2CA7
SCHEMBL25459888 0.92 CA12 (0.62) CYP3A4CA12CA1CA2CA7
SCHEMBL29219854 0.89 CYP3A4 (0.52) CYP3A4CA12CA1CA2CA7
SCHEMBL30671407 0.89 CYP3A4 (0.52) CYP3A4CA12CA1CA2CA7
SCHEMBL29219994 0.88 MAOB (0.52) CYP3A4CA12CA1CA2CA7
SCHEMBL22837938 0.88 MAOB (0.52) CYP3A4CA12CA1CA2CA7
SCHEMBL30671492 0.88 MAOB (0.52) CYP3A4CA12CA1CA2CA7
SCHEMBL15473940 0.85 CYP3A4 (0.57) CYP3A4CA12CA1CA2CA7
SCHEMBL563301 0.84 PKM (0.70) CYP3A4CA12CA1CA2CA7

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 540/4885CA12 4495/4885CA1 4184/4885

“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.