SCHEMBL2085367

SCHEMBL2085367

CCCCCNC(=O)N(C)c1cc(-c2ccc(CCC(=O)O)cc2OCCC)ccc1OCC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.40
RXRA P19793 1/20 0.40
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37
LTB4R Q15722 1/20 0.37
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
FFAR4 Q5NUL3 2/20 0.36
PTPN1 P18031 2/20 0.36
PTPN6 P29350 1/20 0.36
PTPN11 Q06124 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.35
MDM2 Q00987 1/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL2085801 0.84 FAAH (0.42) RXRALMNAL3MBTL1MEN1KMT2A
SCHEMBL69275 0.83 RXRA (0.40) S1PR1RXRALMNAL3MBTL1MEN1
SCHEMBL2083358 0.83 PTGS2 (0.42) RXRAFFAR4PTPN1
SCHEMBL2085374 0.82 RXRA (0.43) RXRALTB4RFFAR4PTPN1PTPN11
SCHEMBL2083445 0.82 RXRA (0.43) RXRAFFAR4PTPN1PTPN11ALDH1A1
SCHEMBL2085353 0.81 RXRA (0.43) RXRALTB4RPTPN11ALDH1A1
SCHEMBL2085270 0.81 RXRA (0.43) RXRALTB4RPTPN11ALDH1A1
SCHEMBL2085444 0.80 FFAR1 (0.40) RXRAPTPN1ALDH1A1
SCHEMBL2083896 0.79 FFAR1 (0.40) RXRALTB4RPTPN1PTPN11ALDH1A1
SCHEMBL4970009 0.79 RXRA (0.42) S1PR1RXRALMNAL3MBTL1LTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863332-B2 Biaromatic compound activators of PPARγ receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-01-04 US claimed
EP-1781297-B1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2008-10-15 EP claimed
US-20070213336-A1 Biaromatic compound activators of ppargamma receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-09-13 US claimed
EP-1781297-A1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2007-05-09 EP claimed
WO-2006018326-A1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-02-23 WO claimed
US-7863332-B2 Biaromatic compound activators of PPARγ receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-01-04 US disclosed
EP-1781297-B1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2008-10-15 EP disclosed
US-20070213336-A1 Biaromatic compound activators of ppargamma receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-09-13 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-20070213336-A1 Biaromatic compound activators of ppargamma receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD S1PR1 1462/4885RXRA 5/4885LMNA 2446/4885

“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.