SCHEMBL4945327

SCHEMBL4945327

CC(C)CC(=O)c1ccc(O)c(Cl)c1O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
GRM2 Q14416 6/20 0.43
PIK3CA P42336 2/20 0.42
SHBG P04278 1/20 0.40

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
SCHEMBL30506519 0.81 MEN1 (0.54) FFAR1GRM2SHBG
SCHEMBL4937297 0.81 MEN1 (0.54) FFAR1GRM2SHBG
SCHEMBL481119 0.80 HSP90AB1 (0.52) PIK3CASHBG
SCHEMBL1831691 0.79 FFAR1 (0.47) FFAR1GRM2
SCHEMBL4943475 0.79 GRM2 (0.54) FFAR1GRM2
SCHEMBL6354449 0.78 FFAR1 (0.50) FFAR1GRM2
SCHEMBL32679233 0.76 FFAR1 (0.44) FFAR1GRM2PIK3CA
SCHEMBL32679234 0.76 FFAR1 (0.44) FFAR1GRM2PIK3CA
SCHEMBL1831012 0.76 FFAR1 (0.44) FFAR1GRM2PIK3CA
SCHEMBL6358047 0.76 GRM2 (0.46) FFAR1GRM2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293684-A1 Heterocyclic Acetophenone Potentiators of Metabotropic Glutamate Receptors MERCK SHARP & DOHME CORP. 2008-11-27 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-20080293684-A1 Heterocyclic Acetophenone Potentiators of Metabotropic Glutamate Receptors GRM2, GRM1, GRIK2 FFAR1 138/4885GRM2 1/4885PIK3CA 2770/4885

“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.