SCHEMBL4556101

SCHEMBL4556101

O=C(O)CC1C/C(=C\c2ccc(F)c3ccccc23)c2ccc(F)cc21

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.51
CYP11B2 P19099 4/20 0.35
RXRA P19793 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
TBXA2R P21731 1/20 0.33
KIF11 P52732 3/20 0.32
PPARD Q03181 1/20 0.32
AKR1B1 P15121 1/20 0.32
FFAR1 O14842 2/20 0.32

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
SCHEMBL10134840 0.87 PPARG (0.51) PPARGCYP11B2AKR1B1FFAR1
SCHEMBL10135329 0.80 PPARG (0.49) PPARGRXRAPTGDR2PPARDFFAR1
SCHEMBL4556146 0.79 PPARG (0.55) PPARGCYP11B2
SCHEMBL4556065 0.78 PPARG (0.51) PPARGRXRATBXA2RAKR1B1
SCHEMBL4556264 0.77 PPARG (0.50) PPARGPTGDR2
SCHEMBL4556106 0.76 PPARG (0.48) PPARGRXRAPTGDR2AKR1B1
SCHEMBL4556253 0.76 PPARG (0.48) PPARGRXRAPTGDR2AKR1B1
SCHEMBL4556250 0.75 PPARG (0.50) PPARGCYP11B2RXRAPTGDR2PPARD
SCHEMBL13940961 0.74 PPARG (0.37) PPARGRXRAPTGDR2AKR1B1
SCHEMBL10135257 0.74 PPARG (0.51) PPARGPPARD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168656-B2 Indoleacetic acid and indenacetic acid derivatives as therapeutic agents with reduced gastrointestinal toxicity VANDERBILT UNIVERSITY (US) 2012-05-01 US disclosed
US-20090118290-A1 Indoleacetic acid and indenacetic acid derivatives as therapeutic agents with reduced gastrointestinal toxicity VANDERBILT UNIVERSITY 2009-05-07 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-20090118290-A1 Indoleacetic acid and indenacetic acid derivatives as therapeutic agents with reduced gastrointestinal toxicity AANAT, FABP2, SI PPARG 9/4885CYP11B2 132/4885RXRA 329/4885

“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.