SCHEMBL6474172

SCHEMBL6474172

O=C(O)Cc1ccc(OCC=C(c2ccc(-c3ccsc3)cc2)c2ccc(-c3ccsc3)cc2)c(I)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.52
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 1/20 0.36
PPARG P37231 3/20 0.36
PPARA Q07869 3/20 0.36
SLC6A9 P48067 1/20 0.36
FFAR1 O14842 1/20 0.35
CHEK2 O96017 2/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
CYP17A1 P05093 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
LTA4H P09960 1/20 0.33
DRD2 P14416 3/20 0.33
DRD4 P21917 3/20 0.33

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
SCHEMBL6483729 0.90 FFAR1 (0.48) PPARDHDAC1HDAC2PPARGPPARA
SCHEMBL6474930 0.88 PPARD (0.69) PPARDHDAC1PPARGPPARASLC6A9
SCHEMBL6474916 0.88 PPARD (0.57) PPARDHDAC1HDAC2PPARGPPARA
SCHEMBL6528160 0.87 PPARD (0.57) PPARDPPARGPPARAFFAR1
SCHEMBL6481912 0.84 PPARD (0.61) PPARDPPARGPPARAFFAR1RXRA
SCHEMBL6481705 0.83 PPARD (0.51) PPARDHDAC1HDAC2PPARGFFAR1
SCHEMBL6475693 0.83 PPARD (0.65) PPARDPPARGPPARALTA4H
SCHEMBL6474911 0.82 PPARD (0.52) PPARDHDAC1HDAC2PPARGPPARA
SCHEMBL6482973 0.82 PPARD (0.65) PPARDFFAR1
SCHEMBL6482972 0.82 PPARD (0.58) PPARDPPARGPPARAFFAR1

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 4 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 claimed
US-20030139473-A1 Novel compounds, their preparation and use VTVX HOLDINGS II LLC 2003-07-24 US claimed
US-6869967-B2 Peroxisome proliferator-activated receptor (PPAR) active vinyl carboxylic acid derivatives NOVO NORDISK A/S (DK) 2005-03-22 US disclosed
US-20030139473-A1 Novel compounds, their preparation and use VTVX HOLDINGS II LLC 2003-07-24 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-20030139473-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA PPARD 2/4885HDAC1 1410/4885HDAC2 1849/4885

“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.