SCHEMBL6484085

SCHEMBL6484085

COc1ccc(OC)c(-c2ccc(C(C)=CCO)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.47
SYK P43405 4/20 0.44
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
BACE1 P56817 1/20 0.43
DHFR P00374 1/20 0.43
AURKB Q96GD4 2/20 0.43
INCENP Q9NQS7 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
NAAA Q02083 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL6484076 1.00 NQO2 (0.47) NQO2SYKHDAC4HDAC2HDAC8
SCHEMBL6484081 1.00 NQO2 (0.47) NQO2SYKHDAC4HDAC2HDAC8
SCHEMBL6492648 0.84 ERN1 (0.47) KDM4EALDH1A1HPGDPDE4DMAPT
SCHEMBL6492644 0.84 ERN1 (0.47) KDM4EALDH1A1HPGDPDE4DMAPT
SCHEMBL6492649 0.84 ERN1 (0.47) KDM4EALDH1A1HPGDPDE4DMAPT
SCHEMBL6485756 0.82 ERN1 (0.43) DHFRALDH1A1
SCHEMBL6485761 0.82 ERN1 (0.43) DHFRALDH1A1
SCHEMBL6493632 0.81 MAPT (0.49) NQO2SYKHDAC4HDAC2HDAC8
SCHEMBL6493546 0.81 MAPT (0.49) NQO2SYKHDAC4HDAC2HDAC8
SCHEMBL29899709 0.79 CA12 (0.60) SYKHDAC4HDAC2HDAC8BACE1

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 3 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

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 NQO2 1372/4885SYK 4655/4885HDAC4 1197/4885

“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.