SCHEMBL3740688

SCHEMBL3740688

CCCOc1cc(I)ccc1CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.39
SLC6A2 P23975 2/20 0.39
MAPT P10636 4/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38
CASP7 P55210 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
HPGD P15428 3/20 0.36
HSD17B10 Q99714 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 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
SCHEMBL3739881 0.89 PSEN1 (0.43) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL3234853 0.79 HPGD (0.53) MAPTKDM4EALDH1A1POLBMEN1
SCHEMBL15777952 0.79 MAPT (0.48) MAPTKDM4EALDH1A1KMT2AHPGD
SCHEMBL8149615 0.78 PDCD1 (0.50) SLC6A4SLC6A2MAPTGAAHTT
SCHEMBL12954602 0.78 SLC6A2 (0.48) SLC6A4SLC6A2MAPTALDH1A1MEN1
SCHEMBL3739211 0.78 CYP11B1 (0.41) SLC6A4SLC6A2
SCHEMBL8285983 0.77 ACHE (0.42) MAPTKDM4EALDH1A1POLBMEN1
SCHEMBL15086545 0.77 TSHR (0.41) MAPTKDM4EALDH1A1POLBMEN1
SCHEMBL30108741 0.75 HPGD (0.41) SLC6A4MAPTKDM4EALDH1A1POLB
SCHEMBL3105572 0.75 CSNK2A1 (0.47) MAPTKDM4EALDH1A1POLBMEN1

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-7829588-B2 Modulators of the PPAR-type receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-11-09 US disclosed
EP-1694669-B1 NOVEL COMPOUNDS WHICH ARE MODULATORS OF THE PPAR-TYPE RECEPTORS AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2007-04-11 EP disclosed
US-20070054907-A1 Peroxisome Proliferator-Activated Receptor (PPAR) receptor modulators such as Ethyl(4-{4-[5-(4-tert-butylphenyl)-4-methyl-4H-[1,2,4]-triazol-3-ylsulfanyl]-2-heptyloxybenzylamino}phenyl)acetate, used in dermatology, cardiovascular diseases, immunology and/or diseases linked to lipid metabolism GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-03-08 US disclosed
EP-1694669-A2 NOVEL COMPOUNDS WHICH ARE MODULATORS OF THE PPAR-TYPE RECEPTORS AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2006-08-30 EP disclosed
WO-2005058844-A2 NOVEL COMPOUNDS WHICH ARE MODULATORS OF THE PPAR-TYPE RECEPTORS AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-06-30 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-20070054907-A1 Peroxisome Proliferator-Activated Receptor (PPAR) receptor modulators such as Ethyl(4-{4-[5-(4-tert-butylphenyl)-4-methyl-4H-[1,2,4]-triazol-3-ylsulfanyl]-2-heptyloxybenzylamino}phenyl)acetate, used in dermatology, cardiovascular diseases, immunology and/or diseases linked to lipid metabolism PPARG, PPARA, PPARD SLC6A4 4547/4885SLC6A2 4784/4885MAPT 2642/4885

“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.