SCHEMBL5113535

SCHEMBL5113535

CCCCCCN1C(=O)C(OC)(OC)c2cc(SCCCc3ccc(C(=O)OCC)cc3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.38
MAPT P10636 2/20 0.38
PTGS1 P23219 1/20 0.35
THRB P10828 2/20 0.34
LMNA P02545 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
SCN9A Q15858 1/20 0.33
OPRL1 P41146 1/20 0.33
KCNJ1 P48048 1/20 0.33
KCNH2 Q12809 1/20 0.33
CBX7 O95931 1/20 0.33
CDYL2 Q8N8U2 1/20 0.33
CDYL Q9Y232 1/20 0.33
CDY1; CDY1B Q9Y6F8 1/20 0.33
THRA P10827 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 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
SCHEMBL5124414 0.99 TP53 (0.39) TP53MAPTPTGS1THRBLMNA
SCHEMBL5118191 0.96 TP53 (0.39) TP53MAPTPTGS1THRBLMNA
SCHEMBL5111306 0.96 TP53 (0.39) TP53MAPTPTGS1THRBLMNA
SCHEMBL5126197 0.95 TP53 (0.39) TP53MAPTPTGS1THRBLMNA
SCHEMBL5118471 0.94 TP53 (0.36) TP53MAPTPTGS1THRBLMNA
SCHEMBL5125044 0.89 TP53 (0.40) TP53MAPTSCN9AOPRL1
SCHEMBL5117738 0.89 TP53 (0.37) TP53MAPTTHRBLMNAKCNJ1
SCHEMBL5256018 0.86 RARB (0.39) TP53MAPTSCN9AALDH1A1RARA
SCHEMBL5118444 0.85 TP53 (0.42) TP53MAPTLMNACBX7CDYL2
SCHEMBL5117184 0.84 TP53 (0.39) TP53MAPTTHRBLMNASIRT2

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 3986/4885PTGS1 551/4885

“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.