SCHEMBL6497142

SCHEMBL6497142

CCC(C(=O)O)=C(C)c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
GSK3B P49841 2/20 0.42
HAO1 Q9UJM8 1/20 0.42
OGG1 O15527 1/20 0.41
HDAC3 O15379 4/20 0.41
HDAC1 Q13547 4/20 0.41
HDAC2 Q92769 4/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40

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
SCHEMBL6497138 1.00 HTT (0.46) HTTCYP1A2POLBCTDSP1CES2
SCHEMBL1959256 0.84 HAO1 (0.45) CYP1A2POLBCTDSP1CES2CES1
SCHEMBL1959255 0.84 HAO1 (0.45) CYP1A2POLBCTDSP1CES2CES1
SCHEMBL1959253 0.84 HAO1 (0.45) CYP1A2POLBCTDSP1CES2CES1
SCHEMBL3014507 0.83 HTT (0.47) HTTCYP1A2POLBCTDSP1CES2
SCHEMBL5491615 0.82 CES1 (0.50) CYP1A2CES2CES1ALDH1A1KDM4E
SCHEMBL9518984 0.81 ALOX15 (0.47) HTTPOLBCTDSP1CES2CES1
SCHEMBL9518997 0.81 ALOX15 (0.47) HTTPOLBCTDSP1CES2CES1
SCHEMBL3250292 0.79 CA1 (0.53) POLBCES2CES1MAPTGSK3B
SCHEMBL6381408 0.79 PTPN1 (0.51) CES2CES1ALDH1A1MAPTGSK3B

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 HTT 3419/4885CYP1A2 150/4885POLB 886/4885

“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.