SCHEMBL1269337

SCHEMBL1269337

C=CCc1ccc(OS(C)(=O)=O)c(OC)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.71
▸ PPARA Q07869 3/20 0.71
▸ PPARG P37231 1/20 0.71
▸ PPARD Q03181 1/20 0.71
▸ PTGS1 P23219 2/20 0.61
▸ CYP3A4 P08684 2/20 0.56
▸ ALOX5 P09917 2/20 0.56
▸ AR P10275 1/20 0.56
▸ TRPM8 Q7Z2W7 1/20 0.56
▸ MAPT P10636 4/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ GABRA1 P14867 2/20 0.51

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
SCHEMBL18729782 0.87 ALDH1A1 (0.69) ALDH1A1PPARAPPARGPPARDPTGS1
SCHEMBL17318086 0.87 ALDH1A1 (0.69) ALDH1A1PPARAPPARGPPARDPTGS1
Fluoride SCHEMBL25252504 0.85 ALDH1A1 (0.67) ALDH1A1PPARAPPARGPPARDPTGS1
SCHEMBL29970179 0.84 ALDH1A1 (0.65) ALDH1A1PPARAPPARGPPARDPTGS1
SCHEMBL25297944 0.84 ALDH1A1 (0.65) ALDH1A1PPARAPPARGPPARDPTGS1
Methyleugenol SCHEMBL1869396 0.84 ALDH1A1 (1.00) ALDH1A1PPARAPPARGPPARDPTGS1
Methyleugenol SCHEMBL113794 0.84 ALDH1A1 (1.00) ALDH1A1PPARAPPARGPPARDPTGS1
Methyleugenol SCHEMBL29376951 0.84 ALDH1A1 (1.00) ALDH1A1PPARAPPARGPPARDPTGS1
SCHEMBL28408730 0.83 ALDH1A1 (0.63) ALDH1A1PPARAPPARGPPARDPTGS1
Methyleugenol SCHEMBL5564539 0.82 ALDH1A1 (0.96) ALDH1A1PPARAPPARGPPARDPTGS1

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-7879907-B2 Peroxisome Proliferator-Activated Receptor (PPAR) activators such as 3-{4-[3-(4-benzyloxy-3-methoxyphenyl)propyl]-3-butoxyphenyl}propanoic acid, used in dermatology, cosmetics, cardiovascular diseases, immunology and/or lipid metabolism GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-02-01 — — US disclosed
US-20100158843-A1 NOVEL 3-PHENYLPROPANOIC COMPOUND ACTIVATORS OF RECEPTORS OF PPAR TYPE AND PHARMACEUTICAL/COSMETIC COMPOSITIONS COMPRISED THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-06-24 — — 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-20100158843-A1 NOVEL 3-PHENYLPROPANOIC COMPOUND ACTIVATORS OF RECEPTORS OF PPAR TYPE AND PHARMACEUTICAL/COSMETIC COMPOSITIONS COMPRISED THEREOF PPARG, PPARA, PPARD ALDH1A1 423/4885PPARA 2/4885PPARG 1/4885

“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.

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