SCHEMBL15053451

SCHEMBL15053451

CC(C)(C)OC(=O)CCc1ccc(Cl)c(CBr)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 2/20 0.39
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
KMT2A Q03164 1/20 0.36
PYGL P06737 1/20 0.35
APP P05067 1/20 0.35
CDK8 P49336 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
MAOA P21397 1/20 0.34
SLC6A2 P23975 1/20 0.34

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
SCHEMBL15054813 0.88 FFAR4 (0.39) FFAR1FFAR4CYP4F2CYP4A11MTNR1A
SCHEMBL15053570 0.83 MTNR1A (0.35) MTNR1AMTNR1BKMT2AKDM4ESMN1; SMN2
SCHEMBL24893924 0.82 FFAR4 (0.43) FFAR1FFAR4CYP4F2CYP4A11MTNR1A
SCHEMBL16750366 0.81 NPC1 (0.46) FFAR1FFAR4CYP4F2CYP4A11KMT2A
SCHEMBL1905729 0.81 NPC1 (0.41) FFAR1FFAR4CYP4F2CYP4A11MTNR1A
SCHEMBL18761597 0.79 CYP4F2 (0.44) CYP4F2CYP4A11MTNR1AMTNR1BKMT2A
SCHEMBL15079334 0.79 CA1 (0.43) KMT2AKDM4ELMNATP53MAPT
SCHEMBL18512001 0.78 AAK1 (0.40) MTNR1AMTNR1BKMT2ACYP1A2
SCHEMBL18981539 0.78 TDP1 (0.44) KMT2APYGLLMNA
SCHEMBL14969491 0.77 CYP4F2 (0.43) CYP4F2CYP4A11KMT2APYGLKDM4E

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 FFAR1 37/4885FFAR4 51/4885CYP4F2 2191/4885

“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.