SCHEMBL4522656

SCHEMBL4522656

COc1ccc2cc(C(=O)Nc3ccc(C(C)(C)N)cc3)c(=O)oc2c1CC(C)C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.50
MAPT P10636 1/20 0.50
S1PR1 P21453 5/20 0.49
MAOB P27338 6/20 0.48
MAOA P21397 2/20 0.48
CNR2 P34972 4/20 0.48
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL3883450 0.91 S1PR1 (0.52) TP53MAPTS1PR1MAOBMAOA
SCHEMBL3882544 0.90 S1PR1 (0.54) TP53MAPTS1PR1MAOBMAOA
SCHEMBL3882652 0.88 TP53 (0.58) TP53MAPTS1PR1MAOBMAOA
SCHEMBL3885669 0.88 S1PR1 (0.64) TP53MAPTS1PR1MAOBMAOA
SCHEMBL4518093 0.86 S1PR1 (0.58) TP53MAPTS1PR1MAOBMAOA
SCHEMBL4558459 0.86 MAPT (0.52) TP53MAPTS1PR1MAOBMAOA
SCHEMBL3879511 0.86 TP53 (0.50) TP53MAPTS1PR1MAOBMAOA
SCHEMBL3883904 0.85 CNR2 (0.58) TP53MAPTS1PR1MAOBMAOA
SCHEMBL4042357 0.85 CNR2 (0.54) TP53MAPTMAOBMAOACNR2
SCHEMBL3952074 0.85 TP53 (0.48) TP53MAPTS1PR1MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318546-A1 Chromen-2-One Derivatives NOVARTIS AG (CH) 2009-12-24 US claimed

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-20090318546-A1 Chromen-2-One Derivatives CYP1A2, CYP4B1, CYP1B1 TP53 487/4885MAPT 3872/4885S1PR1 3084/4885

“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.