SCHEMBL4812829

SCHEMBL4812829

COc1ccc(COc2cc3c(cc2OC)C(=O)CC3)cc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.47
MAOB P27338 8/20 0.47
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CHRNA7 P36544 2/20 0.43

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
SCHEMBL4814842 0.88 CHRNA7 (0.56) MAOAMAOBCHRNA7
SCHEMBL3970008 0.88 CHRNA7 (0.56) MAOAMAOBCHRNA7
SCHEMBL4813423 0.86 CHEK1 (0.48) ALDH1A1
SCHEMBL9620526 0.83 MAOA (0.57) MAOAMAOBCHRNA7
SCHEMBL9621181 0.83 MAOA (0.57) MAOAMAOBCHRNA7
SCHEMBL27895 0.82 MAOB (0.67) MAOAMAOB
SCHEMBL4708272 0.82 MAOB (0.67) MAOAMAOB
SCHEMBL5713217 0.81 MAOA (0.61) MAOAMAOBCHRNA7
SCHEMBL11147426 0.81 MAOA (0.61) MAOAMAOBCHRNA7
SCHEMBL4192600 0.80 MAOB (0.56) MAOAMAOBALDH1A1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320986-B2 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBOTT LABORTORIES (US) 2008-01-22 US disclosed
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBVIE INC. 2004-12-23 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-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors TK1, MAP3K19, MAP3K20 MAOA 3621/4885MAOB 3311/4885ALDH1A1 3848/4885

“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.