SCHEMBL6475016

SCHEMBL6475016

CCOC(=O)/C=C(/C)c1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 2/20 0.44
S1PR4 O95977 1/20 0.44
S1PR1 P21453 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
TARBP2 Q15633 1/20 0.41
NHERF1 O14745 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 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
SCHEMBL6475011 1.00 MAPT (0.44) MAPTKMT2AMEN1NPSR1LMNA
SCHEMBL6475019 1.00 MAPT (0.44) MAPTKMT2AMEN1NPSR1LMNA
SCHEMBL2192534 0.95 KMT2A (0.47) MAPTKMT2AMEN1NPSR1LMNA
SCHEMBL2192541 0.95 KMT2A (0.47) MAPTKMT2AMEN1NPSR1LMNA
SCHEMBL2192538 0.95 KMT2A (0.47) MAPTKMT2AMEN1NPSR1LMNA
SCHEMBL11543256 0.86 F2 (0.38) MAPTKMT2AMEN1NPSR1LMNA
SCHEMBL11543258 0.86 F2 (0.38) MAPTKMT2AMEN1NPSR1LMNA
SCHEMBL6484891 0.86 SMN1; SMN2 (0.49) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL5525558 0.86 SMN1; SMN2 (0.49) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL5525560 0.86 SMN1; SMN2 (0.49) MAPTKMT2AMEN1HTTALDH1A1

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 MAPT 3696/4885KMT2A 2972/4885MEN1 4252/4885
US-20030139473-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA MAPT 3939/4885KMT2A 4575/4885MEN1 4798/4885
US-20030195200-A1 Compounds, their preparation and use PPARG, PPARA, PPARD MAPT 3845/4885KMT2A 4478/4885MEN1 3986/4885

“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.