SCHEMBL2085684

SCHEMBL2085684

CNc1cccc(-c2ccc(CCC(=O)OC)cc2OC)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.47
FFAR1 O14842 2/20 0.47
ALOX5 P09917 1/20 0.43
OR51E2 Q9H255 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
PDE4D Q08499 2/20 0.41
LMNA P02545 2/20 0.41
VDR P11473 1/20 0.40
PPARD Q03181 1/20 0.40
CTSA P10619 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL2085769 0.87 PTPN1 (0.43) PTPN1FFAR1SIRT2VDRPPARD
SCHEMBL2083341 0.87 PTPN1 (0.48) PTPN1FFAR1SIRT2VDRPPARD
SCHEMBL2086697 0.82 CYP17A1 (0.46) PTPN1FFAR1SIRT2VDRPPARD
SCHEMBL3940302 0.74 KMT2A (0.59) ALOX5OR51E2PDE4D
SCHEMBL16294204 0.74 ALOX5 (0.54) PTPN1ALOX5OR51E2LMNA
SCHEMBL10316893 0.73 FFAR1 (0.48) PTPN1FFAR1SIRT2PDE4DCTSA
SCHEMBL4967992 0.73 HTR7 (0.47) PTPN1FFAR1CNR2
Dihydroferulic Acid Methyl Ester SCHEMBL490876 0.72 ALOX5 (0.77) PTPN1ALOX5OR51E2LMNA
SCHEMBL18744079 0.72 ALOX5 (0.55) ALOX5OR51E2LMNA
SCHEMBL2083064 0.72 CYP4F2 (0.54) FFAR1

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-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
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 disclosed
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 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 PTPN1 1201/4885FFAR1 13/4885ALOX5 498/4885

“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.