SCHEMBL1268950

SCHEMBL1268950

CCCCOc1cc(CCC(=O)O)ccc1CCCc1ccc(OS(C)(=O)=O)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
LTB4R Q15722 1/20 0.45
PPARA Q07869 2/20 0.43
CA5A P35218 1/20 0.43
RXRA P19793 1/20 0.43
PPARG P37231 1/20 0.42
HTR1A P08908 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX5 P09917 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP2C19 P33261 1/20 0.42
TRPV1 Q8NER1 1/20 0.42

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
SCHEMBL1270236 0.92 HDAC1 (0.46) LTA4HHDAC1HDAC2LTB4RPPARA
SCHEMBL1270030 0.91 HDAC1 (0.47) LTA4HHDAC1HDAC2HTR1ACYP1A2
SCHEMBL1270107 0.91 HDAC1 (0.53) LTA4HHDAC1HDAC2LTB4RPPARA
SCHEMBL1270202 0.90 HDAC1 (0.44) LTA4HHDAC1HDAC2LTB4RPPARA
SCHEMBL3405574 0.89 HDAC1 (0.52) LTA4HHDAC1HDAC2LTB4RPPARA
SCHEMBL1270026 0.88 HDAC1 (0.51) LTA4HHDAC1HDAC2LTB4RPPARA
SCHEMBL1270015 0.87 PPARA (0.43) LTA4HHDAC1HDAC2LTB4RPPARA
SCHEMBL1270374 0.84 CYP3A4 (0.58) LTA4HLTB4RRXRAHTR1ACYP1A2
SCHEMBL1269120 0.84 APP (0.61) HDAC1HDAC2FFAR4APP
SCHEMBL1270511 0.83 HDAC1 (0.47) LTA4HHDAC1HDAC2

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 9 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
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 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
EP-2155662-A2 NOVEL DERIVATIVES OF 3-PHENYL PROPANOIC ACID ACTIVATING PPAR-TYPE RECEPTORS, METHOD FOR PREPARING SAME AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development (FR) 2010-02-24 EP disclosed
WO-2008152333-A9 NOVEL DERIVATIVES OF 3-PHENYL PROPANOIC ACID ACTIVATING PPAR-TYPE RECEPTORS, METHOD FOR PREPARING SAME AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-12-10 WO disclosed
WO-2008152333-A2 NOVEL DERIVATIVES OF 3-PHENYL PROPANOIC ACID ACTIVATING PPAR-TYPE RECEPTORS, METHOD FOR PREPARING SAME AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-12-18 WO 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 LTA4H 622/4885HDAC1 520/4885HDAC2 455/4885

“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.