SCHEMBL3739211

SCHEMBL3739211

OCc1ccc(I)cc1OCCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.41
CYP11B2 P19099 4/20 0.41
CYP19A1 P11511 2/20 0.41
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
IDO1 P14902 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
C5AR1 P21730 1/20 0.38

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
SCHEMBL2853160 0.84 APP (0.49)
SCHEMBL15778544 0.82 CYP11B1 (0.59) CYP11B1CYP11B2CYP19A1CNR1CNR2
SCHEMBL9076683 0.82 HTR2C (0.53) SLC6A4
SCHEMBL9340038 0.80 DRD2 (0.53) CYP11B1CYP11B2IDO1
SCHEMBL3740688 0.78 SLC6A4 (0.39) SLC6A2SLC6A4
SCHEMBL7982330 0.77 APP (0.48) IDO1
SCHEMBL25016906 0.76 CNR1 (0.55) CNR1CNR2IDO1C5AR1
SCHEMBL3744999 0.75 ALDH1A1 (0.49) CYP11B1CYP11B2CYP19A1MAOAMAOB
SCHEMBL3739881 0.74 PSEN1 (0.43) CNR1CNR2
SCHEMBL3744492 0.73 FFAR4 (0.46) CNR1CNR2

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 CYP11B1 239/4885CYP11B2 296/4885CYP19A1 436/4885

“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.