SCHEMBL4454822

SCHEMBL4454822

Cc1cc(N2C(=O)OC(C)C2C)ccc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.40
MAOA P21397 2/20 0.36
MAOB P27338 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
ADH5 P11766 2/20 0.36
ALDH1A1 P00352 2/20 0.35
EPHX1 P07099 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
FADS1 O60427 1/20 0.34
TNKS O95271 4/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
MAPT P10636 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
SCHEMBL4458122 0.85 CALML3 (0.42) ALDH1A1MEN1KMT2AFADS1MAPT
SCHEMBL4447345 0.85 GRM2 (0.38) ADH5MEN1KMT2AFADS1
SCHEMBL4445382 0.84 DHODH (0.46) ALDH1A1MEN1KMT2AMAPT
SCHEMBL4469782 0.84 ROCK2 (0.37) ADH5FADS1TNKSTNKS2
SCHEMBL4455582 0.83 TNKS (0.39) CA1CA2TNKSTNKS2
SCHEMBL4474713 0.82 PDE3B (0.39) PDE3BPDE3AADH5
SCHEMBL4460627 0.82 ALDH1A1 (0.43) ALDH1A1ADORA3ADORA2AADORA1MAPT
SCHEMBL4445293 0.81 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AMAPT
SCHEMBL4472187 0.80 GRM2 (0.36) PDE3BPDE3AFADS1
SCHEMBL4458253 0.77 PDE3B (0.41) ESR2MAOAMAOBPDE3BPDE3A

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 ESR2 2810/4885MAOA 191/4885MAOB 106/4885

“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.