SCHEMBL15053698

SCHEMBL15053698

CC(C)(C)OC(=O)C=Cc1cc(Cl)c(CO)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
NR1I2 O75469 1/20 0.37
PGR P06401 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CYP2C9 P11712 1/20 0.37
SLC6A2 P23975 1/20 0.37
TBXAS1 P24557 1/20 0.37
CYP2C19 P33261 1/20 0.37
DRD3 P35462 1/20 0.37
OPRK1 P41145 1/20 0.37
PDE4D Q08499 1/20 0.37
KCNH2 Q12809 1/20 0.37
BACE1 P56817 1/20 0.33
NR1H4 Q96RI1 2/20 0.33
XPO1 O14980 1/20 0.33
MAOB P27338 1/20 0.33
EGFR P00533 1/20 0.33
MEN1 O00255 4/20 0.32

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
SCHEMBL15053696 1.00 LMNA (0.37) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL18133776 0.85 CYP2C9 (0.38) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL15053141 0.82 LMNA (0.37) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL15053142 0.82 LMNA (0.37) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL13303891 0.81 DPP4 (0.42) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL15054114 0.80 NR1H4 (0.43) NR1H4ESR1
SCHEMBL15054115 0.80 NR1H4 (0.43) NR1H4ESR1
SCHEMBL16750365 0.79 DPP4 (0.47) MAOBMAPTESR1
SCHEMBL7245532 0.76 LMNA (0.34) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL7245526 0.76 LMNA (0.34) LMNAHTTNR1I2PGRCYP3A4

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-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 US disclosed
US-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 US disclosed
EP-2794576-A1 NON-SYSTEMIC TGR5 AGONISTS Ardelyx, Inc. (US) 2014-10-29 EP disclosed
WO-2013096771-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX, INC. (US) 2013-06-27 WO disclosed
WO-2013096771-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX, INC. (US) 2013-06-27 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-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS GLP1R, GPR119, TRHR LMNA 2486/4885HTT 3163/4885NR1I2 388/4885

“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.