SCHEMBL2086697

SCHEMBL2086697

CNc1cccc(-c2ccc(CCC(=O)OC)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
HDAC1 Q13547 1/20 0.46
FFAR1 O14842 6/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
MGLL Q99685 1/20 0.45
PTPN1 P18031 2/20 0.44
VDR P11473 1/20 0.44
PPARD Q03181 1/20 0.44
FFAR4 Q5NUL3 2/20 0.44
HCAR2 Q8TDS4 1/20 0.44
MMP12 P39900 1/20 0.43
SENP1 Q9P0U3 1/20 0.42
SYK P43405 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
SCHEMBL2083064 0.88 CYP4F2 (0.54) FFAR1HRH3MGLLSYK
SCHEMBL14683408 0.84 SIRT2 (0.52) FFAR1SIRT2MGLLPTPN1FFAR4
SCHEMBL2083341 0.83 PTPN1 (0.48) FFAR1SIRT2PTPN1VDRPPARD
SCHEMBL12646536 0.83 HCAR2 (0.57) HDAC1FFAR1HRH3PTPN1VDR
SCHEMBL12646452 0.83 HCAR2 (0.56) CYP17A1CYP11B1CYP11B2HDAC1FFAR1
SCHEMBL2085684 0.82 PTPN1 (0.47) FFAR1SIRT2PTPN1VDRPPARD
SCHEMBL480043 0.82 FFAR1 (0.65) HDAC1FFAR1HRH3PTPN1FFAR4
SCHEMBL4827768 0.82 FFAR1 (0.65) HDAC1FFAR1HRH3PTPN1FFAR4
SCHEMBL12087496 0.82 HDAC1 (0.52) CYP17A1CYP11B1CYP11B2HDAC1FFAR1
SCHEMBL12087466 0.82 FFAR1 (0.49) HDAC1FFAR1HRH3PTPN1FFAR4

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 CYP17A1 157/4885CYP11B1 59/4885CYP11B2 81/4885

“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.