SCHEMBL16738428

SCHEMBL16738428

O=C(O)C1(OCc2cc(Cl)ccc2Cl)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.50
SLC16A1 P53985 1/20 0.50
MCTS1 Q9ULC4 1/20 0.50
FFAR4 Q5NUL3 8/20 0.45
GRM2 Q14416 1/20 0.44
GRM3 Q14832 1/20 0.44
TDP1 Q9NUW8 1/20 0.40
ALKBH1 Q13686 1/20 0.39
MRGPRX4 Q96LA9 3/20 0.39
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39
S1PR5 Q9H228 2/20 0.39
MAOB P27338 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL27988469 0.89 FFAR4 (0.43) SLC16A3SLC16A1MCTS1FFAR4GRM2
SCHEMBL16738426 0.88 FFAR4 (0.43) SLC16A3SLC16A1MCTS1FFAR4GRM2
SCHEMBL15057940 0.87 GRM2 (0.41) SLC16A3SLC16A1MCTS1FFAR4GRM2
SCHEMBL16738504 0.84 FFAR4 (0.40) SLC16A3SLC16A1MCTS1FFAR4GRM2
SCHEMBL27988790 0.84 FFAR4 (0.42) SLC16A3SLC16A1MCTS1FFAR4GRM2
SCHEMBL27988474 0.75 FFAR4 (0.36) FFAR4GRM2GRM3TDP1ALKBH1
SCHEMBL15054206 0.74 FFAR4 (0.38) FFAR4GRM2GRM3ALKBH1S1PR1
SCHEMBL15057599 0.73 GPBAR1 (0.45) SLC16A3SLC16A1MCTS1FFAR4ALDH1A1
SCHEMBL27988791 0.73 FFAR4 (0.35) FFAR4GRM2GRM3TDP1ALKBH1
SCHEMBL25400027 0.69 L3MBTL1 (0.44) GRM2GRM3TDP1ALKBH1MAOB

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
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

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 SLC16A3 462/4885SLC16A1 357/4885MCTS1 1772/4885

“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.