SCHEMBL6493829

SCHEMBL6493829

COc1cccc(-c2ccc(/C(C)=C\CO)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.52
HSD17B2 P37059 1/20 0.49
PLAU P00749 3/20 0.46
PLG P00747 2/20 0.46
PLAT P00750 2/20 0.46
CHEK2 O96017 1/20 0.46
XDH P47989 1/20 0.46
ABL1 P00519 2/20 0.45
ABCB1 P08183 2/20 0.45
BCR P11274 2/20 0.45
HDAC4 P56524 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
FYN P06241 1/20 0.44
DYRK1A Q13627 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL6493824 1.00 MAOB (0.52) MAOBHSD17B2PLAUPLGPLAT
SCHEMBL6493831 1.00 MAOB (0.52) MAOBHSD17B2PLAUPLGPLAT
SCHEMBL6484484 0.83 MAPT (0.44)
SCHEMBL6484431 0.80 HSD17B2 (0.46) HSD17B2
SCHEMBL6484429 0.80 HSD17B2 (0.46) HSD17B2
SCHEMBL6484436 0.80 HSD17B2 (0.46) HSD17B2
SCHEMBL5525240 0.79 SMN1; SMN2 (0.50)
SCHEMBL5525241 0.79 SMN1; SMN2 (0.50)
SCHEMBL6496296 0.79 SMN1; SMN2 (0.50)
SCHEMBL6485284 0.78 HSD17B2 (0.54) HSD17B2PLAUPLGPLATHDAC4

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 MAOB 1480/4885HSD17B2 144/4885PLAU 2999/4885

“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.