SCHEMBL810330

SCHEMBL810330

CC(C)(C)c1ccc(COc2ccc(Sc3ccc(O)cc3)c(N)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.46
NR4A2 P43354 2/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
MAOB P27338 4/20 0.45
NR4A1 P22736 1/20 0.44
NR4A3 Q92570 1/20 0.44
ABL1 P00519 1/20 0.39
SRC P12931 1/20 0.39
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
LMNA P02545 1/20 0.38
TYR P14679 1/20 0.38
RAB9A P51151 2/20 0.38
SPHK2 Q9NRA0 2/20 0.38
SPHK1 Q9NYA1 2/20 0.38
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL810527 0.86 MAOB (0.44) APPMAOBLMNARAB9ANPC1
SCHEMBL810135 0.86 MAPT (0.48) APPMAOBLMNARAB9ANPC1
SCHEMBL810574 0.84 MAOB (0.49) APPNR4A2MAOBLMNARAB9A
SCHEMBL2969952 0.84 KDM4E (0.47) APPNR4A2MAOBLMNAKDM4E
SCHEMBL810140 0.84 MAOB (0.46) APPRXRARXRBMAOBLMNA
SCHEMBL811334 0.84 CYP1A2 (0.55) MAOBLMNARAB9AKDM4EMEN1
SCHEMBL811078 0.81 CYP3A4 (0.46) APPMAOBLMNARAB9ASPHK2
SCHEMBL810494 0.79 MAOB (0.48) MAOBLMNAKDM4EMAPT
SCHEMBL810110 0.78 MAOB (0.57) NR4A2MAOBPOLBMAPTHTT
SCHEMBL810860 0.78 MAOB (0.52) APPMAOBRAB9ANPC1MEN1

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
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 WO 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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 APP 3580/4885NR4A2 2293/4885RXRA 3052/4885

“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.