SCHEMBL4556253

SCHEMBL4556253

O=C(O)CC1C/C(=C\c2ccc(Br)cc2)c2ccc(F)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.48
AKR1B1 P15121 1/20 0.40
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
PTGS1 P23219 3/20 0.36
EGFR P00533 1/20 0.36
CYP1A2 P05177 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
MAPT P10636 1/20 0.36
DRD1 P21728 1/20 0.36
MAPK1 P28482 1/20 0.36
PTGS2 P35354 1/20 0.36
OPRM1 P35372 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PSENEN Q9NZ42 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
SCHEMBL4556106 0.88 PPARG (0.48) PPARGAKR1B1MAOAMAOBPTGS1
SCHEMBL10135329 0.87 PPARG (0.49) PPARGPTGS1EGFRCYP1A2ADORA3
SCHEMBL4556250 0.86 PPARG (0.50) PPARGPTGS1EGFRCYP1A2ADORA3
SCHEMBL4556264 0.86 PPARG (0.50) PPARGPTGS1EGFRCYP1A2ADORA3
SCHEMBL4556091 0.85 PPARG (0.51) PPARGPTGS1EGFRCYP1A2ADORA3
SCHEMBL10135257 0.85 PPARG (0.51) PPARGMAOBEGFRMAPTMAPK1
SCHEMBL13941045 0.84 MAPT (0.52) PPARGPTGS1EGFRCYP1A2ADORA3
SCHEMBL10134792 0.84 PPARG (0.53) PPARGPTGS1EGFRCYP1A2ADORA3
SCHEMBL10134592 0.84 PPARG (0.54) PPARGPTGS1EGFRCYP1A2ADORA3
SCHEMBL13940961 0.84 PPARG (0.37) PPARGAKR1B1PTGS1EGFRCYP1A2

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 9/4885AKR1B1 1389/4885MAOA 138/4885

“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.