SCHEMBL430052

SCHEMBL430052

C=CCc1cccc([N+](=O)[O-])c1OC(C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 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
SCHEMBL430053 1.00 KDM4E (0.40) KDM4EADRA2AADRA2BADRA2C
SCHEMBL11211677 0.81 ALDH1A1 (0.42) KDM4E
SCHEMBL5259025 0.81 PTGDR (0.44) KDM4E
SCHEMBL5259031 0.81 PTGDR (0.44) KDM4E
SCHEMBL428060 0.80 TDP1 (0.40) KDM4E
SCHEMBL428061 0.80 TDP1 (0.40) KDM4E
SCHEMBL430230 0.80 CYP1A2 (0.42) KDM4E
SCHEMBL430231 0.80 CYP1A2 (0.42) KDM4E
SCHEMBL18128002 0.77 MAPT (0.52)
SCHEMBL2061886 0.77 RAB9A (0.41) KDM4E

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-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 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-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GABBR1, GABRQ, GABRE KDM4E 3168/4885ADRA2A 48/4885ADRA2B 122/4885

“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.