SCHEMBL68346

SCHEMBL68346

CCCCOc1cc(C(=O)OC)ccc1I

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.53
ESR1 P03372 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
NPC1 O15118 1/20 0.49
CASP1 P29466 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 1/20 0.49
SMPD1 P17405 5/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
SLC6A2 P23975 1/20 0.47
SCN1A P35498 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KCNH2 Q12809 1/20 0.47
HIF1A Q16665 1/20 0.47
SCN2A Q99250 1/20 0.47

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
SCHEMBL15956123 0.94 MGLL (0.57) MGLLESR1ALDH1A1HPGDSMPD1
SCHEMBL4213761 0.94 MGLL (0.49) MGLLESR1L3MBTL1KDM4EHPGD
SCHEMBL27883417 0.88 ESR1 (0.68) ESR1KDM4EALDH1A1HPGDNPC1
SCHEMBL21378628 0.87 TTR (0.44) MGLLESR1L3MBTL1KDM4EALDH1A1
SCHEMBL16056165 0.86 CREBBP (0.52) MGLLNPC1RAB9AMAPTCYP1A2
SCHEMBL8360925 0.86 SMPD1 (0.58) MGLLL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL4217825 0.86 MAPT (0.46) MGLLL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL17151834 0.85 MAPT (0.45) MGLLL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL21383066 0.85 MAPT (0.45) MGLLL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL27142203 0.85 MAPT (0.45) MGLLL3MBTL1KDM4EALDH1A1HPGD

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303549-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF GALDERMA RES & DEV (FR) 2013-11-14 US disclosed
US-8513297-B2 Biaromatic compounds that modulate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-08-20 US disclosed
US-8404836-B2 3-phenyl acrylic acid compound activators of type PPAR receptors and pharmaceutical/cosmetic compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-03-26 US disclosed
US-8383652-B2 Biaromatic compounds that modulate PPAR-receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-02-26 US disclosed
US-8357819-B2 Method for the synthesis of (Z)-3-[2-butoxy-3′-(3-heptyl-1-methyl-ureido)-biphenyl-4-yl]-2-methoxy-acrylic acid GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-01-22 US disclosed
US-8357819-B2 Method for the synthesis of (Z)-3-[2-butoxy-3′-(3-heptyl-1-methyl-ureido)-biphenyl-4-yl]-2-methoxy-acrylic acid GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-01-22 US disclosed
EP-2146954-B1 METHOD FOR THE SYNTHESIS OF (Z)-3-[2-BUTOXY-3'-(3-HEPTYL-1-METHYL-UREIDO)-BIPHENYL-4-YL]-2-METHOXY-ACRYLIC ACID GALDERMA RES & DEV (FR) 2012-10-31 EP disclosed
US-20120121527-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARy TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-05-17 US disclosed
US-8129416-B2 Biaromatic compounds that modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-03-06 US disclosed
EP-1814871-B1 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2011-03-02 EP disclosed
US-20070207175-A1 Biaromatic compound activators of PPARgamma receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-09-06 US disclosed
CN-101022810-A Novel biaromatic compounds which activate peroxisome proliferator activated receptor-like receptors and their use in cosmetic or pharmaceutical compositions GALDERMA RES & DEV (FR) 2007-08-22 CN disclosed
EP-1814871-A2 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-08-08 EP disclosed
CN-101014328-A Novel biaromatic compounds which activate receptors of PPAR type and their use in cosmetic or pharmaceutical compositions GALDERMA RES & DEV (FR) 2007-08-08 CN 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
EP-1781274-A1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE RECEPTORS OF PPAR TYPE AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2007-05-09 EP disclosed
WO-2007049158-A2 PPAR MODULATING BIAROMATIC COMPOUNDS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-05-03 WO disclosed
WO-2006053791-A2 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-05-26 WO disclosed
WO-2006018325-A1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE RECEPTORS OF PPAR TYPE AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-02-23 WO 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 (3 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-20070207175-A1 Biaromatic compound activators of PPARgamma receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD MGLL 301/4885ESR1 231/4885L3MBTL1 4182/4885
US-20130303549-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF PPARG, PPARD, PPARA MGLL 153/4885ESR1 578/4885L3MBTL1 4450/4885
US-20120121527-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARy TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF PPARG, PPARD, PPARA MGLL 153/4885ESR1 578/4885L3MBTL1 4450/4885

“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.