SCHEMBL6483647

SCHEMBL6483647

C/C(=C/CO)c1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.40
OGG1 O15527 1/20 0.38
NQO2 P16083 1/20 0.37
LSS P48449 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
NOS1 P29475 1/20 0.35
GSK3B P49841 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL6483650 1.00 HAO1 (0.40) HAO1OGG1NQO2LSSALDH1A1
SCHEMBL6483643 1.00 HAO1 (0.40) HAO1OGG1NQO2LSSALDH1A1
SCHEMBL5225455 0.94 OGG1 (0.42) OGG1HDAC1HDAC8CES2CES1
SCHEMBL5225449 0.94 OGG1 (0.42) OGG1HDAC1HDAC8CES2CES1
SCHEMBL6365628 0.94 OGG1 (0.42) OGG1HDAC1HDAC8CES2CES1
SCHEMBL6495544 0.87 MEN1 (0.32) HAO1
SCHEMBL6495550 0.87 MEN1 (0.32) HAO1
SCHEMBL6495552 0.87 MEN1 (0.32) HAO1
SCHEMBL11487419 0.87 HAO1 (0.39) HAO1OGG1NQO2LSSALDH1A1
SCHEMBL11540592 0.83 ALOX15 (0.32) NQO2

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-6869967-B2 Peroxisome proliferator-activated receptor (PPAR) active vinyl carboxylic acid derivatives NOVO NORDISK A/S (DK) 2005-03-22 US disclosed
US-6867218-B2 Compounds, their preparation and use NOVO NORDISK A/S (DK) 2005-03-15 US disclosed
US-6737438-B2 EFFECTIVE IN MULTIDRUG RESISTANT MICE COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-05-18 US disclosed
EP-1414778-A1 NOVEL VINYL CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ANTIDIABETICS ETC. NOVO NORDISK A/S (DK) 2004-05-06 EP disclosed
US-20040053991-A1 Substituted 1,2,4-trioxanes useful as antimalarial agents and a process for the preparation thereof COUNCIL SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-03-18 US disclosed
US-20030195200-A1 Compounds, their preparation and use VTVX HOLDINGS II LLC 2003-10-16 US disclosed
US-20030139473-A1 Novel compounds, their preparation and use VTVX HOLDINGS II LLC 2003-07-24 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
WO-2003011807-A1 NOVEL VINYL CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ANTIDIABETICS ETC. NOVO NORDISK A/S (DK) 2003-02-13 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 (3 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-20040053991-A1 Substituted 1,2,4-trioxanes useful as antimalarial agents and a process for the preparation thereof DHPS, TBXAS1, ABCC1 HAO1 1026/4885OGG1 2325/4885NQO2 2683/4885
US-20030139473-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA HAO1 3306/4885OGG1 4308/4885NQO2 2053/4885
US-20030195200-A1 Compounds, their preparation and use PPARG, PPARA, PPARD HAO1 3007/4885OGG1 2277/4885NQO2 1372/4885

“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.