SCHEMBL4806938

SCHEMBL4806938

O=C1CCc2cc(OC3C=CCCC3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.43
MAOB P27338 11/20 0.41
PTGS2 P35354 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAOA P21397 9/20 0.39
HSD17B1 P14061 1/20 0.36

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
SCHEMBL6219966 0.93 MAOB (0.48) HRH3MAOBPTGS2MAOAHSD17B1
SCHEMBL3965663 0.83 PTGS2 (0.51) HRH3MAOBPTGS2CASP1CASP7
SCHEMBL11732154 0.76 MAOA (0.52) HRH3MAOBMAOAHSD17B1
SCHEMBL9223479 0.76 MAOA (0.52) HRH3MAOBMAOAHSD17B1
SCHEMBL11741286 0.74 MAOA (0.54) HRH3MAOBMAOAHSD17B1
SCHEMBL4813615 0.73 MAPK14 (0.52) HRH3MAOBPTGS2CASP1CASP7
SCHEMBL4403542 0.71 CASP1 (0.44) HRH3MAOBPTGS2CASP1CASP7
SCHEMBL8597524 0.71 HRH3 (0.49) HRH3MAOBPTGS2MAOA
SCHEMBL1339241 0.70 MAOB (0.44) HRH3MAOBPTGS2CASP1CASP7
SCHEMBL5384562 0.69 BTK (0.39) HRH3MAOBPTGS2HSD17B10MAOA

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 HRH3 2806/4885MAOB 3311/4885PTGS2 2198/4885

“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.