SCHEMBL733971

SCHEMBL733971

Cc1ccc(-c2cc3ccc(C)cc3o2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.61
SHBG P04278 1/20 0.56
TNKS O95271 1/20 0.49
PARP1 P09874 1/20 0.49
TNKS2 Q9H2K2 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
HIF1A Q16665 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
TYR P14679 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4D Q08499 1/20 0.46
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A1 P68400 1/20 0.45
MIF P14174 1/20 0.45
AR P10275 1/20 0.45

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
SCHEMBL9947478 0.89 MAOB (0.53) MAOBSHBGTNKSPARP1TNKS2
SCHEMBL21860319 0.89 MAOB (0.76) MAOBSHBGTNKSTYRPTGS1
SCHEMBL28751161 0.89 MAOB (0.53) MAOBSHBGTYRPTGS1PTGS2
SCHEMBL9947474 0.89 MAOB (0.53) MAOBSHBGTNKSPARP1TNKS2
SCHEMBL11711558 0.89 MAOB (0.70) MAOBSHBGTNKSPARP1TNKS2
SCHEMBL11713027 0.89 MAOB (0.74) MAOBSHBGTNKSPARP1TNKS2
SCHEMBL7128324 0.88 MAOB (0.51) MAOBSHBGTNKSPARP1TNKS2
SCHEMBL17427775 0.88 MAOB (0.62) MAOBSHBGTNKSPARP1TNKS2
SCHEMBL14231752 0.87 MAOB (0.50) MAOBSHBGTYRPTGS1PTGS2
SCHEMBL21860492 0.86 KCNA5 (0.61) MAOBADORA3

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
US-8138360-B2 substrates for amyloidogenic proteins, for example, A beta 1-42, an amyloid protein, brain deposits of which are associated with Alzheimer's disease University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2012-03-20 US disclosed
US-20070184513-A1 Substrates for beta-lactamase and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-08-09 US disclosed
US-7157575-B2 Substrates for β-lactamase and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-01-02 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-20070184513-A1 Substrates for beta-lactamase and uses thereof CMBL, DBH, NCEH1 MAOB 180/4885SHBG 2999/4885TNKS 4349/4885

“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.