SCHEMBL5024580

SCHEMBL5024580

COC(=O)[C@@H](Cc1ccc(O)cc1)OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.63
ESR2 Q92731 3/20 0.63
MIF P14174 2/20 0.54
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TSHR P16473 1/20 0.47
LNPEP Q9UIQ6 1/20 0.47
MDM4 O15151 1/20 0.47
MDM2 Q00987 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SLC7A5 Q01650 1/20 0.44
TAAR1 Q96RJ0 3/20 0.44
SLC6A2 P23975 1/20 0.44
NLRP3 Q96P20 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
MMP12 P39900 1/20 0.43

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
SCHEMBL542969 1.00 ESR1 (0.63) ESR1ESR2MIFKMT2ANPSR1
SCHEMBL542970 1.00 ESR1 (0.63) ESR1ESR2MIFKMT2ANPSR1
SCHEMBL5360147 0.86 ESR1 (0.51) ESR1ESR2MIFSLC7A5TAAR1
SCHEMBL3694538 0.86 ESR1 (0.51) ESR1ESR2MIFSLC7A5TAAR1
SCHEMBL3535230 0.85 ESR1 (0.58) ESR1ESR2MIFKMT2ANPSR1
SCHEMBL13792677 0.85 ESR1 (0.58) ESR1ESR2MIFKMT2ANPSR1
SCHEMBL3535227 0.85 ESR1 (0.58) ESR1ESR2MIFKMT2ANPSR1
SCHEMBL3993110 0.85 ESR1 (0.58) ESR1ESR2MIFKMT2ANPSR1
SCHEMBL4455242 0.84 LDHA (0.59)
SCHEMBL16451001 0.84 ESR1 (0.45) ESR1ESR2MIFLNPEPNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7321056-B2 Selective peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
US-7321056-B2 Selective peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
US-7321056-B2 Selective peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
EP-1697306-B1 SELECTIVE PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2007-07-25 EP disclosed
EP-1697306-B1 SELECTIVE PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2007-07-25 EP disclosed
US-20070066683-A1 Selective peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY 2007-03-22 US disclosed
US-20070066683-A1 Selective peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY 2007-03-22 US disclosed
US-20070066683-A1 Selective peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY 2007-03-22 US disclosed
EP-1697306-A1 SELECTIVE PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-09-06 EP disclosed
WO-2005061441-A1 SELECTIVE PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-07 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-20070066683-A1 Selective peroxisome proliferator activated receptor modulators PPARG, PPARD, PPARA ESR1 1830/4885ESR2 715/4885MIF 4154/4885

“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.