SCHEMBL429665

SCHEMBL429665

C=CCc1c(C)ccc2c1ccc[n+]2[O-]

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL432648 0.73 GABRA1 (0.40) MAPTKDM4EALDH1A1GAAMEN1
SCHEMBL1003551 0.70 ACHE (0.38) MAPTKDM4EALDH1A1GAA
SCHEMBL3151798 0.70 MAPT (0.39) MAPTKDM4EALDH1A1KMT2A
SCHEMBL7198503 0.70 TSHR (0.48) MAPTKDM4EALDH1A1GAAKMT2A
SCHEMBL1235826 0.70 MAPT (0.44) MAPTKDM4EALDH1A1GAA
SCHEMBL7210673 0.68 GABRA1 (0.33) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL16132334 0.68 CYP1A2 (0.31) MAPT
SCHEMBL5800459 0.68 CYP1A2 (0.48) MAPTKDM4EALDH1A1
SCHEMBL430744 0.66 MAPT (0.47) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL3047788 0.65 ALDH1A1 (0.34) MAPTKDM4EALDH1A1GAA

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-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 US disclosed
EP-1786822-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2007-05-23 EP disclosed
WO-2006024517-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2006-03-09 WO 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 MAPT 1090/4885KDM4E 3168/4885ALDH1A1 257/4885

“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.