SCHEMBL4556050

SCHEMBL4556050

CSc1ccc(/C=C2\CC(CC(=O)Nc3ccccc3)c3cc(F)ccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
PPARG P37231 3/20 0.43
PTGS1 P23219 2/20 0.43
MAPK1 P28482 2/20 0.43
CYP1A2 P05177 2/20 0.43
EGFR P00533 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
DRD1 P21728 1/20 0.43
PTGS2 P35354 1/20 0.43
OPRM1 P35372 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
KMT2A Q03164 5/20 0.41

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
SCHEMBL10134592 0.83 PPARG (0.54) MAPTPPARGPTGS1MAPK1CYP1A2
SCHEMBL13941289 0.80 KMT2A (0.40) MAPTPPARGPTGS1MAPK1CYP1A2
SCHEMBL10135329 0.77 PPARG (0.49) MAPTPPARGPTGS1MAPK1CYP1A2
SCHEMBL4556253 0.75 PPARG (0.48) MAPTPPARGPTGS1MAPK1CYP1A2
SCHEMBL4556106 0.75 PPARG (0.48) MAPTPPARGPTGS1MAPK1CYP1A2
SCHEMBL10134792 0.74 PPARG (0.53) MAPTPPARGPTGS1MAPK1CYP1A2
SCHEMBL4548530 0.73 PPARG (0.74) MAPTPPARGPTGS1MAPK1CYP1A2
SCHEMBL10135257 0.73 PPARG (0.51) MAPTPPARGMAPK1EGFRKMT2A
SCHEMBL4556065 0.73 PPARG (0.51) PPARGPTGS1SMN1; SMN2LMNA
SCHEMBL13941045 0.72 MAPT (0.52) MAPTPPARGPTGS1MAPK1CYP1A2

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 MAPT 2795/4885PPARG 9/4885PTGS1 25/4885

“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.