SCHEMBL5227332

SCHEMBL5227332

CC(C)(C)OC(=O)C1(NN)CCCC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.33
DGAT1 O75907 1/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 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
SCHEMBL5359677 0.98 MAPT (0.35) NPSR1MAPTDGAT1ALDH1A1L3MBTL1
SCHEMBL28067161 0.92 DGAT1 (0.34) DGAT1CYP4F2CYP4A11
SCHEMBL4734782 0.79 MAPT (0.47) NPSR1MAPTALDH1A1L3MBTL1CYP4F2
SCHEMBL15461474 0.79 NPSR1 (0.32) NPSR1MAPTDGAT1ALDH1A1L3MBTL1
SCHEMBL15461486 0.78 MAPT (0.34) NPSR1MAPTDGAT1ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL25233263 0.76 MAPT (0.49) NPSR1MAPTALDH1A1L3MBTL1CYP4F2
SCHEMBL6864504 0.75 MME (0.33) NPSR1CYP4F2CYP4A11
SCHEMBL1782571 0.74 MME (0.33) MAPTALDH1A1L3MBTL1
SCHEMBL3295142 0.74 MAPK1 (0.33) NPSR1DGAT1CYP4F2CYP4A11
SCHEMBL740941 0.74 NPSR1 (0.32) NPSR1DGAT1CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241763-B2 3-furanyl analogs of toxoflavine as kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 US disclosed
EP-1523485-B1 3-FURANYL ANALOGS OF TOXOFLAVINE AS KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2007-02-14 EP disclosed
US-20060040943-A1 3-Furanyl analogs of toxoflavine as kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-23 US disclosed
EP-1523485-A1 3-FURANYL ANALOGS OF TOXOFLAVINE AS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-20 EP disclosed
WO-2004007499-A1 3-FURANYL ANALOGS OF TOXOFLAVINE AS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2004-01-22 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-20060040943-A1 3-Furanyl analogs of toxoflavine as kinase inhibitors GRK3, GRK4, GRK6 NPSR1 421/4885MAPT 4881/4885DGAT1 3700/4885

“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.