SCHEMBL5377403

SCHEMBL5377403

CCOC(=O)C(Cc1ccc(O)c(C)c1)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.46
ESR2 Q92731 2/20 0.46
NR3C1 P04150 3/20 0.42
PGR P06401 2/20 0.42
NR3C2 P08235 1/20 0.42
MMP1 P03956 2/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 0.40
HSD17B2 P37059 3/20 0.39
FOS P01100 2/20 0.39
TTR P02766 2/20 0.39

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
SCHEMBL978301 0.88 ESR1 (0.46) ESR1ESR2NR3C1PGRNR3C2
SCHEMBL14366435 0.86 FOLH1 (0.43) ESR1NR3C1PGRMMP1MMP2
SCHEMBL5382445 0.86 HSD17B2 (0.57) NR3C1MMP1HSD17B2FOSTTR
SCHEMBL5380062 0.86 CA2 (0.46) MMP1MMP2MMP3MMP9MMP12
SCHEMBL5383353 0.86 CA2 (0.46) MMP1MMP2MMP3MMP9MMP12
SCHEMBL3694538 0.81 ESR1 (0.51) ESR1ESR2CA12CA1CA2
SCHEMBL5360147 0.81 ESR1 (0.51) ESR1ESR2CA12CA1CA2
SCHEMBL6575233 0.80 KAT8 (0.41) CYP3A4ALOX15ALOX12KDM4EMEN1
SCHEMBL5389962 0.80 GABRA1 (0.45) MMP1MMP2MMP3MMP9MMP12
SCHEMBL6575227 0.80 KAT8 (0.41) CYP3A4ALOX15ALOX12KDM4EMEN1

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-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 US disclosed
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 US disclosed
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed
US-20050020684-A1 Modulators of peroxisome proliferator activated receptors ELI LILLY AND COMPANY 2005-01-27 US disclosed
EP-1392637-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2004-03-03 EP disclosed
WO-2002100813-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2002-12-19 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 (2 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-20050020684-A1 Modulators of peroxisome proliferator activated receptors NCOA4, PPARG, PPARA ESR1 571/4885ESR2 183/4885NR3C1 96/4885
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors PPARG, NCOA4, PPARA ESR1 431/4885ESR2 151/4885NR3C1 90/4885

“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.