SCHEMBL3743259

SCHEMBL3743259

CCCOc1cc(I)ccc1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
CYP1A2 P05177 3/20 0.46
CYP2D6 P10635 1/20 0.46
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
MAPT P10636 4/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HSP90AA1 P07900 2/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PLA2G2A P14555 1/20 0.42
HSD17B10 Q99714 1/20 0.41
CA9 Q16790 2/20 0.40
CYP2C19 P33261 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP2C9 P11712 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
SCHEMBL10047544 0.94 TDP1 (0.49) TDP1CYP1A2CYP2D6SCN1ASCN2A
SCHEMBL25788934 0.90 MAOA (0.49) TDP1MAPTALDH1A1HPGDKDM4E
SCHEMBL3738882 0.90 MAOA (0.49) TDP1MAPTALDH1A1HPGDKDM4E
SCHEMBL4667829 0.88 MAPT (0.45) TDP1CYP1A2MAPTALDH1A1HPGD
SCHEMBL257677 0.88 TDP1 (0.46) TDP1CYP1A2MAPTALDH1A1HPGD
SCHEMBL256739 0.88 TDP1 (0.62) TDP1MAPTALDH1A1HPGDKDM4E
SCHEMBL7646111 0.84 CA9 (0.51) CYP1A2CYP2D6SCN1ASCN2ASCN3A
SCHEMBL28519834 0.84 TDP1 (0.51) TDP1CYP1A2CYP2D6SCN1ASCN2A
SCHEMBL31685952 0.84 KDM4E (0.49) TDP1CYP1A2MAPTALDH1A1HPGD
SCHEMBL343448 0.83 TDP1 (0.47) TDP1MAPTALDH1A1HPGDHSP90AA1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220306812-A1 COVALENT ORGANIC FRAMEWORK AND METHODS OF FABRICATION AND USES THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2022-09-29 US disclosed
CN-114008017-A Covalent organic frameworks and methods of making and using same 新加坡国立大学 2022-02-01 CN disclosed
WO-2020214095-A1 COVALENT ORGANIC FRAMEWORK AND METHODS OF FABRICATION AND USES THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2020-10-22 WO disclosed
WO-2020214095-A1 COVALENT ORGANIC FRAMEWORK AND METHODS OF FABRICATION AND USES THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2020-10-22 WO disclosed
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 TDP1 1477/4885CYP1A2 262/4885CYP2D6 581/4885

“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.