SCHEMBL1269702

SCHEMBL1269702

CCOc1ccc(CCOc2ccc(CCC(=O)O)cc2OC)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.53
PPARA Q07869 2/20 0.52
CDK8 P49336 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
APP P05067 1/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
CALM1 P0DP23 3/20 0.48
FFAR1 O14842 3/20 0.48
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.47
FFAR4 Q5NUL3 3/20 0.47
EDNRB P24530 1/20 0.45
EDNRA P25101 1/20 0.45

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
SCHEMBL3690496 0.88 CALM1 (0.60) PPARAAPPHDAC1HDAC2CALM1
SCHEMBL3693650 0.82 LMNA (0.60) PPARAAPPHDAC1HDAC2FFAR1
SCHEMBL3673329 0.82 FFAR4 (0.61) APPHDAC1HDAC2CALM1FFAR1
SCHEMBL22622262 0.82 LMNA (0.62) PPARAAPPHDAC1HDAC2FFAR1
SCHEMBL1207379 0.82 FFAR1 (0.57) PPARGPPARACDK8CLK4FFAR1
SCHEMBL7995941 0.81 FFAR4 (0.60) APPHDAC1HDAC2CALM1FFAR1
Hydrochloric Acid SCHEMBL1375864 0.81 FFAR1 (0.56) PPARGPPARACDK8CLK4FFAR1
SCHEMBL2840795 0.81 FFAR4 (0.55) APPHDAC1HDAC2CALM1FFAR1
SCHEMBL5687906 0.80 PPARA (0.57) PPARAAPPHDAC1HDAC2FFAR1
SCHEMBL1270026 0.79 HDAC1 (0.51) PPARGPPARAAPPHDAC1HDAC2

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 5 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 claimed
EP-2155662-B1 NOVEL DERIVATIVES OF 3-PHENYL PROPANOIC ACID ACTIVATING PPAR-TYPE RECEPTORS, METHOD FOR PREPARING SAME AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2010-12-01 EP claimed
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 claimed
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 PPARG 1/4885PPARA 2/4885CDK8 4370/4885

“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.