SCHEMBL4469782

SCHEMBL4469782

CCc1cc(N2C(=O)OC(C)C2C)ccc1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.37
PTGDR2 Q9Y5Y4 3/20 0.36
TNKS O95271 6/20 0.34
TNKS2 Q9H2K2 1/20 0.34
ADH5 P11766 2/20 0.33
FADS1 O60427 1/20 0.33
GRM2 Q14416 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
SCHEMBL4460627 0.85 ALDH1A1 (0.43) GRM2
SCHEMBL4454822 0.84 ESR2 (0.40) TNKSTNKS2ADH5FADS1
SCHEMBL4447345 0.83 GRM2 (0.38) ADH5FADS1GRM2
SCHEMBL4458122 0.83 CALML3 (0.42) FADS1GRM2
SCHEMBL4445382 0.82 DHODH (0.46) ROCK2GRM2
SCHEMBL4474713 0.80 PDE3B (0.39) ADH5
SCHEMBL4445293 0.79 ALDH1A1 (0.42)
SCHEMBL4472187 0.78 GRM2 (0.36) FADS1GRM2
SCHEMBL4444393 0.74 FADS1 (0.39) FADS1GRM2
SCHEMBL4469790 0.73 PTGDR2 (0.35) PTGDR2GRM2

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-20090137577-A1 HETEROCYCLIC COMPOUNDS PFIZER INC. 2009-05-28 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-20090137577-A1 HETEROCYCLIC COMPOUNDS CYP2D6, ABCG2, CYP2B6 ROCK2 4111/4885PTGDR2 685/4885TNKS 3250/4885

“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.