SCHEMBL3965663

SCHEMBL3965663

O=C1CCc2cc(OC3CCCC3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.51
HRH3 Q9Y5N1 7/20 0.51
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAOB P27338 6/20 0.47
MAOA P21397 4/20 0.43
PDK2 Q15119 1/20 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
SCHEMBL11732154 0.92 MAOA (0.52) HRH3MAOBMAOA
SCHEMBL9223479 0.92 MAOA (0.52) HRH3MAOBMAOA
SCHEMBL8597524 0.87 HRH3 (0.49) PTGS2HRH3MAOBMAOAPDK2
SCHEMBL11741286 0.87 MAOA (0.54) HRH3MAOBMAOA
SCHEMBL4813615 0.86 MAPK14 (0.52) PTGS2HRH3CASP1CASP7HSD17B10
SCHEMBL4403542 0.84 CASP1 (0.44) PTGS2HRH3CASP1CASP7HSD17B10
SCHEMBL4806938 0.83 HRH3 (0.43) PTGS2HRH3CASP1CASP7HSD17B10
SCHEMBL21461282 0.81 HRH3 (0.51) HRH3MAOBMAOA
SCHEMBL10685922 0.81 ROCK1 (0.52) HRH3MAOBMAOA
SCHEMBL1339241 0.80 MAOB (0.44) PTGS2HRH3CASP1CASP7HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R PTGS2 18/4885HRH3 312/4885CASP1 2124/4885

“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.