SCHEMBL12829697

SCHEMBL12829697

CCc1cc2cccc(C)c2o1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.51
MAOA P21397 4/20 0.51
ADORA3 P0DMS8 5/20 0.46
ADORA2A P29274 3/20 0.46
ADORA1 P30542 2/20 0.46
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
CYP2D6 P10635 1/20 0.40
TYMP P19971 1/20 0.37
TLR8 Q9NR97 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL30434856 0.83 MAOB (0.50) MAOBMAOAADORA3ADORA2AADORA1
SCHEMBL20078226 0.81 MAOA (0.48) MAOBMAOAADORA3ADORA2AADORA1
SCHEMBL13979677 0.81 CYP2D6 (0.56) MAOBMAOACYP2D6TYMPTLR8
SCHEMBL19756708 0.79 AHR (0.40) CYP2D6TLR8
SCHEMBL3883498 0.79 MAOB (0.41) MAOBMAOACHRM2CHRM4CHRM5
SCHEMBL14048145 0.79 NPC1 (0.50) MAOBMAOACYP2D6TLR8
SCHEMBL1287389 0.79 CA12 (0.45) MAOBMAOACYP2D6TLR8
SCHEMBL16795612 0.79 MAOB (0.46) MAOBMAOAADORA3ADORA2AADORA1
SCHEMBL348215 0.77 LMNA (0.54) ADORA3ADORA2AADORA1
SCHEMBL2056169 0.77 CYP2D6 (0.37) CYP2D6TLR8

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-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-03-31 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-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE MAP3K20, MAP3K1, PDPK1 MAOB 3091/4885MAOA 3545/4885ADORA3 2992/4885

“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.