SCHEMBL6474893

SCHEMBL6474893

N#Cc1ccc(C(=CCOc2ccc(CC(=O)O)cc2I)c2ccc(C#N)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.55
PTGDR2 Q9Y5Y4 3/20 0.38
FFAR1 O14842 1/20 0.38
AKR1B1 P15121 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 1/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
CTBP2 P56545 1/20 0.34

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
SCHEMBL6482698 0.89 FFAR1 (0.52) PPARDPTGDR2FFAR1
SCHEMBL6481912 0.87 PPARD (0.61) PPARDFFAR1GAAALDH1A1TSHR
SCHEMBL6474488 0.87 PPARD (0.74) PPARDPTGDR2AKR1B1RAB9ATDP1
SCHEMBL6473770 0.87 PPARD (0.61) PPARDPTGDR2AKR1B1RAB9AALDH1A1
SCHEMBL6482972 0.85 PPARD (0.58) PPARDFFAR1GAAALDH1A1TSHR
SCHEMBL6482973 0.85 PPARD (0.65) PPARDPTGDR2FFAR1GAAALDH1A1
SCHEMBL6528160 0.84 PPARD (0.57) PPARDFFAR1GAAALDH1A1TSHR
SCHEMBL6473596 0.82 PPARD (0.72) PPARDRAB9AALDH1A1PPARGPPARA
SCHEMBL6474172 0.79 PPARD (0.52) PPARDFFAR1PPARGPPARA
SCHEMBL6474911 0.79 PPARD (0.52) PPARDFFAR1PPARGPPARA

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 2/4885PTGDR2 63/4885FFAR1 22/4885

“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.