SCHEMBL15054115

SCHEMBL15054115

CC(C)(C)OC(=O)C=Cc1ccc(Cl)c(CO)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 7/20 0.43
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP8 P22894 2/20 0.41
NFKB1 P19838 1/20 0.41
ESR1 P03372 1/20 0.40
PYGL P06737 7/20 0.40
TTR P02766 2/20 0.39
DPP4 P27487 1/20 0.39
APP P05067 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
MMP13 P45452 1/20 0.37

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
SCHEMBL15054114 1.00 NR1H4 (0.43) NR1H4MMP2MMP9MMP8NFKB1
SCHEMBL13660708 0.81 TUBB1 (0.46) NR1H4ESR1PYGLTTRDPP4
SCHEMBL16750369 0.80 IAPP (0.51) MMP2MMP9MMP8NFKB1PYGL
SCHEMBL15053696 0.80 LMNA (0.37) NR1H4ESR1
SCHEMBL15053698 0.80 LMNA (0.37) NR1H4ESR1
SCHEMBL17999147 0.78 KDR (0.47) NR1H4ESR1TTRAPP
SCHEMBL17999148 0.78 KDR (0.47) NR1H4ESR1TTRAPP
SCHEMBL29707575 0.78 KDR (0.47) NR1H4ESR1TTRAPP
SCHEMBL15054051 0.78 KDM4E (0.50) MMP2MMP9NFKB1ESR1PYGL
SCHEMBL15054048 0.78 KDM4E (0.50) MMP2MMP9NFKB1ESR1PYGL

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 NR1H4 258/4885MMP2 3975/4885MMP9 3866/4885

“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.