SCHEMBL15053142

SCHEMBL15053142

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 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
SLC6A2 P23975 1/20 0.37
TBXAS1 P24557 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
ALDH1A1 P00352 4/20 0.37
MAOB P27338 1/20 0.35
XPO1 O14980 1/20 0.35
ESR1 P03372 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL15053141 1.00 LMNA (0.37) LMNACYP2C9CYP2C19HTTNR1I2
SCHEMBL18133776 0.90 CYP2C9 (0.38) LMNACYP2C9CYP2C19HTTNR1I2
SCHEMBL13303891 0.86 DPP4 (0.42) LMNACYP2C9CYP2C19HTTNR1I2
SCHEMBL16750365 0.84 DPP4 (0.47) ALDH1A1MAOBESR1MAPTDPP4
SCHEMBL15053696 0.82 LMNA (0.37) LMNACYP2C9CYP2C19HTTNR1I2
SCHEMBL15053698 0.82 LMNA (0.37) LMNACYP2C9CYP2C19HTTNR1I2
SCHEMBL24738013 0.80 XPO1 (0.42) LMNACYP2C9CYP2C19HTTNR1I2
SCHEMBL29137038 0.80 XPO1 (0.42) LMNACYP2C9CYP2C19HTTNR1I2
SCHEMBL1219446 0.80 MAPT (0.54) LMNACYP2C19ALDH1A1MAOBMAPT
SCHEMBL18511984 0.78 KDM4E (0.40) LMNACYP2C9CYP2C19HTTNR1I2

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 3 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
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

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 2486/4885CYP2C9 2550/4885CYP2C19 3239/4885

“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.