SCHEMBL6031089

SCHEMBL6031089

CCCCN(CCCC)c1ccc(Sc2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CNR2 P34972 4/20 0.50
CYP26A1 O43174 1/20 0.45
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NR3C1 P04150 1/20 0.41
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
GABRA1 P14867 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 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
SCHEMBL6031457 0.94 ALDH1A1 (0.51) ALDH1A1HPGDHSD17B10CNR2CYP26A1
SCHEMBL5449533 0.91 ALDH1A1 (0.61) ALDH1A1HPGDHSD17B10CNR2EGFR
SCHEMBL6031618 0.87 CYP26A1 (0.45) ALDH1A1HPGDHSD17B10CNR2CYP26A1
SCHEMBL14496299 0.85 ALDH1A1 (0.60) ALDH1A1HPGDHSD17B10CNR2NPSR1
SCHEMBL6031470 0.84 ALDH1A1 (0.49) ALDH1A1HPGDHSD17B10CNR2CYP26A1
SCHEMBL6031292 0.82 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10CNR2CYP26A1
SCHEMBL6031563 0.80 NR3C1 (0.50) ALDH1A1HPGDHSD17B10CNR2CYP26A1
SCHEMBL1726248 0.78 CHRM2 (0.38) ALDH1A1HPGDCNR2EGFRERBB2
SCHEMBL13464286 0.78 CA2 (0.60) ALDH1A1HPGDHSD17B10CYP26A1LMNA
SCHEMBL6032560 0.77 CNR2 (0.47) ALDH1A1CNR2EGFRERBB2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052627-A1 Novel modulators of the PPAR-type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-03-09 US claimed
EP-1596853-A1 COMPOUNDS WHICH ARE MODULATORS OF THE PPAR-TYPE RECEPTORS AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2005-11-23 EP claimed
WO-2004071504-A1 COMPOUNDS WHICH ARE MODULATORS OF THE PPAR-TYPE RECEPTORS AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-08-26 WO claimed
US-20060052627-A1 Novel modulators of the PPAR-type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-03-09 US disclosed
EP-1596853-A1 COMPOUNDS WHICH ARE MODULATORS OF THE PPAR-TYPE RECEPTORS AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2005-11-23 EP disclosed
WO-2004071504-A1 COMPOUNDS WHICH ARE MODULATORS OF THE PPAR-TYPE RECEPTORS AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-08-26 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-20060052627-A1 Novel modulators of the PPAR-type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA ALDH1A1 671/4885HPGD 589/4885HSD17B10 352/4885

“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.