SCHEMBL4808970

SCHEMBL4808970

COc1ccc2c(c1)C(=O)C(=CO)C2

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.61
CES2 O00748 2/20 0.61
METAP1 P53582 1/20 0.60
ABCB1 P08183 1/20 0.57
MAOB P27338 4/20 0.56
ACHE P22303 3/20 0.54
MAOA P21397 2/20 0.54
CYP19A1 P11511 3/20 0.53
BCHE P06276 1/20 0.53
HSP90AA1 P07900 1/20 0.51

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
SCHEMBL4808965 1.00 MIF (0.61) MIFCES2METAP1ABCB1MAOB
SCHEMBL6364740 0.92 MAOB (0.65) MIFCES2METAP1ABCB1MAOB
SCHEMBL6364741 0.92 MAOB (0.65) MIFCES2METAP1ABCB1MAOB
SCHEMBL6361474 0.86 MAOB (0.67) MIFMETAP1MAOBACHEMAOA
SCHEMBL6361472 0.86 MAOB (0.67) MIFMETAP1MAOBACHEMAOA
SCHEMBL7764041 0.84 CES2 (0.62) MIFCES2METAP1ABCB1MAOB
SCHEMBL7764032 0.84 CES2 (0.62) MIFCES2METAP1ABCB1MAOB
SCHEMBL29038294 0.82 CES2 (0.80) MIFCES2MAOBACHEMAOA
SCHEMBL29038289 0.82 CES2 (0.80) MIFCES2MAOBACHEMAOA
SCHEMBL8034937 0.80 ACHE (0.56) MIFCES2METAP1ABCB1MAOB

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-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
EP-0700905-B1 Tricyclic pyrazole derivatives HOFFMANN LA ROCHE (CH) 2001-10-31 EP disclosed
US-5561150-A 1-AMINOALKYL-1,4-DIHYDROINDENO(2,1-C)PYRAZOLES OR 1H-BENZ(G)INDAZOLES; SEROTONIN RECEPTOR ANTAGONISTS; ANTIDEPRESSANTS; NERVOUS SYSTEM, PSYCHOLOGICAL AND GASTROINTESTINAL DISORDERS HOFFMAN-LA ROCHE INC. (US) 1996-10-01 US disclosed
EP-0700905-A1 Tricyclic pyrazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1996-03-13 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 (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 MIF 2828/4885CES2 3154/4885METAP1 1839/4885

“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.