SCHEMBL17040461

SCHEMBL17040461

CCCCOc1ccc2c(c1)C(=O)CCCC2

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.63
MAOA P21397 7/20 0.63
HRH3 Q9Y5N1 2/20 0.59
BRD4 O60885 1/20 0.59
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL19558961 0.91 MAOB (0.63) MAOBMAOAHRH3BRD4
SCHEMBL15085354 0.91 BRD4 (0.69) MAOBMAOAHRH3BRD4MEN1
SCHEMBL12921977 0.88 BRD4 (0.66) MAOBMAOAHRH3BRD4MEN1
SCHEMBL25889760 0.87 MAOA (0.61) MAOBMAOAHRH3BRD4
SCHEMBL8651866 0.87 BRD4 (0.64) MAOBMAOAHRH3BRD4MEN1
SCHEMBL12524558 0.85 MAOB (0.60) MAOBMAOAHRH3BRD4
SCHEMBL9222772 0.85 MAOB (0.69) MAOBMAOAHRH3
SCHEMBL8652023 0.84 BRD4 (0.65) MAOBMAOAHRH3BRD4
SCHEMBL6825600 0.84 MAOA (0.66) MAOBMAOAHRH3BRD4
SCHEMBL23795002 0.84 MAOB (0.61) MAOBMAOAHRH3BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9759726-B2 Reactive labelling compounds and uses thereof ACADEMIA SINICA (TW) 2017-09-12 US disclosed
US-9547009-B2 Benzocyclooctyne compounds and uses thereof ACADEMIA SINICA (TW) 2017-01-17 US disclosed
WO-2015148915-A9 REACTIVE LABELLING COMPOUNDS AND USES THEREOF ACADEMIA SINICA (TW) 2016-12-22 WO disclosed
US-20150309041-A1 REACTIVE LABELLING COMPOUNDS AND USES THEREOF ACADEMIA SINICA (TW) 2015-10-29 US disclosed
WO-2015148915-A1 REACTIVE LABELLING COMPOUNDS AND USES THEREOF ACADEMIA SINICA (TW) 2015-10-01 WO disclosed
US-20150241439-A1 BENZOCYCLOOCTYNE COMPOUNDS AND USES THEREOF ACADEMIA SINICA (TW) 2015-08-27 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 (2 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-20150309041-A1 REACTIVE LABELLING COMPOUNDS AND USES THEREOF MPI, AADAC, PAICS MAOB 23/4885MAOA 135/4885HRH3 3558/4885
US-20150241439-A1 BENZOCYCLOOCTYNE COMPOUNDS AND USES THEREOF AADAC, TBCA, SPG11 MAOB 23/4885MAOA 104/4885HRH3 4305/4885

“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.