SCHEMBL6493368

SCHEMBL6493368

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
KIF11 P52732 1/20 0.41
CYP2C9 P11712 1/20 0.40
USP5 P45974 1/20 0.39
FFAR1 O14842 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
PTPN5 P54829 1/20 0.36

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
SCHEMBL6493364 1.00 HTT (0.44) HTTKIF11CYP2C9USP5FFAR1
SCHEMBL6493370 1.00 HTT (0.44) HTTKIF11CYP2C9USP5FFAR1
SCHEMBL6493938 0.81 PTGS1 (0.43)
SCHEMBL6493931 0.81 PTGS1 (0.43)
SCHEMBL6493936 0.81 PTGS1 (0.43)
SCHEMBL6485756 0.80 ERN1 (0.43)
SCHEMBL6485761 0.80 ERN1 (0.43)
SCHEMBL5525241 0.79 SMN1; SMN2 (0.50)
SCHEMBL6496296 0.79 SMN1; SMN2 (0.50)
SCHEMBL5525240 0.79 SMN1; SMN2 (0.50)

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 HTT 3419/4885KIF11 3875/4885CYP2C9 725/4885

“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.