SCHEMBL3934705

SCHEMBL3934705

COCC1(C)CC(=O)c2c(C)c([N+](=O)[O-])c(C)c(C)c2O1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 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
SCHEMBL10977280 0.79 AKT1 (0.37) AKT1
SCHEMBL3935483 0.76 TTPA (0.38)
SCHEMBL9531639 0.74 KMT2A (0.42)
SCHEMBL3932577 0.73
SCHEMBL3940891 0.67 TTPA (0.32)
SCHEMBL13592372 0.67
SCHEMBL13592357 0.66
SCHEMBL13793499 0.65
SCHEMBL13805561 0.65 ALDH1A1 (0.31)
SCHEMBL8716311 0.63 TTPA (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306055-A1 PHENYLAZOLE COMPOUNDS, PRODUCTION PROCESS AND ANTIOXIDANTS NIPPON SODA CO., LTD. (JP) 2009-12-10 US disclosed
US-20090306055-A1 PHENYLAZOLE COMPOUNDS, PRODUCTION PROCESS AND ANTIOXIDANTS NIPPON SODA CO., LTD. (JP) 2009-12-10 US disclosed
US-7553837-B2 Phenylazole compounds production process and antioxidants NIPPON SODA CO., LTD. (JP) 2009-06-30 US disclosed
US-7553837-B2 Phenylazole compounds production process and antioxidants NIPPON SODA CO., LTD. (JP) 2009-06-30 US disclosed
US-20060247228-A1 Phenylazole compounds production process and antioxidants NIPPON SODA CO., LTD. (JP) 2006-11-02 US disclosed
US-20060189673-A1 Phenylazole compound, production process therefor and antioxidant NIPPON SODA CO., LTD. (JP) 2006-08-24 US disclosed
EP-1650206-A1 PHENYLAZOLE COMPOUNDS, PRODUCTION PROCESS, AND ANTIOXIDANTS NIPPON SODA CO., LTD. (JP) 2006-04-26 EP disclosed
EP-1614688-A1 PHENYLAZOLE COMPOUND, PRODUCTION PROCESS, AND ANTIOXIDANT DRUG NIPPON SODA CO., LTD. (JP) 2006-01-11 EP 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 (3 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-20090306055-A1 PHENYLAZOLE COMPOUNDS, PRODUCTION PROCESS AND ANTIOXIDANTS NOX1, CBR1, AOX1 AKT1 2218/4885
US-20060247228-A1 Phenylazole compounds production process and antioxidants CBR1, CBR3, NOX3 AKT1 2465/4885
US-20060189673-A1 Phenylazole compound, production process therefor and antioxidant CBR3, CYP4F11, CBR1 AKT1 1246/4885

“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.