SCHEMBL5125044

SCHEMBL5125044

CCCCCCCN1C(=O)C(OC)(OC)c2cc(SCCc3ccc(C(=O)OC)cc3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.40
MAPT P10636 2/20 0.40
AGTR1 P30556 4/20 0.38
OPRL1 P41146 1/20 0.36
SCN9A Q15858 2/20 0.36
CYP4A11 Q02928 2/20 0.35
AGTR2 P50052 2/20 0.35
CYP4F2 P78329 1/20 0.35
TLR8 Q9NR97 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
SCHEMBL5118444 0.96 TP53 (0.42) TP53MAPTAGTR1CYP4A11AGTR2
SCHEMBL5111306 0.93 TP53 (0.39) TP53MAPTOPRL1SCN9A
SCHEMBL5118191 0.93 TP53 (0.39) TP53MAPTOPRL1SCN9A
SCHEMBL5126197 0.92 TP53 (0.39) TP53MAPTSCN9A
SCHEMBL5256018 0.92 RARB (0.39) TP53MAPTSCN9A
SCHEMBL5113535 0.89 TP53 (0.38) TP53MAPTOPRL1SCN9A
SCHEMBL5114130 0.88 TP53 (0.45) TP53MAPT
SCHEMBL5216357 0.88 TP53 (0.41) TP53MAPT
SCHEMBL5124414 0.88 TP53 (0.39) TP53MAPTSCN9A
SCHEMBL5117738 0.86 TP53 (0.37) TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-03 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-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA TP53 482/4885MAPT 3986/4885AGTR1 638/4885

“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.