SCHEMBL13652012

SCHEMBL13652012

CC(C)(C)C1COc2cc(Cl)ccc2O1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.45
CA1 P00915 1/20 0.45
AHR P35869 3/20 0.38
CYP19A1 P11511 1/20 0.36
NPC1 O15118 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOB P27338 1/20 0.35
MAP3K14 Q99558 2/20 0.35
FFAR1 O14842 1/20 0.35
HCRTR2 O43614 1/20 0.35
DAO P14920 1/20 0.34
HTT P42858 1/20 0.34
RIPK1 Q13546 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL13501482 0.80 CYP19A1 (0.43) CYP19A1NPC1
SCHEMBL24854078 0.78 LTB4R (0.39) MAOBHTT
SCHEMBL18812630 0.77 CA2 (0.48) CA2CA1AHRCYP19A1NPC1
SCHEMBL406202 0.77 NISCH (0.44) HTT
SCHEMBL19565507 0.77 NISCH (0.44) HTT
SCHEMBL12610431 0.77 NISCH (0.44) HTT
SCHEMBL406079 0.75 POLB (0.47) L3MBTL1
SCHEMBL19002483 0.75 HRH4 (0.48) AHRNPC1
SCHEMBL1119149 0.75 CA2 (0.49) CA2CA1AHRCYP19A1NPC1
SCHEMBL1119152 0.75 CA2 (0.49) CA2CA1AHRCYP19A1NPC1

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-20090247618-A1 PROCESS FOR PREPARATION OF BENZO-FUSED HETEROARYL DERIVATIVES JANSSEN PHARMACEUTICA, N.C. (BE) 2009-10-01 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-20090247618-A1 PROCESS FOR PREPARATION OF BENZO-FUSED HETEROARYL DERIVATIVES CYP3A4, CYP3A5, CYP1A2 CA2 3270/4885CA1 2909/4885AHR 213/4885

“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.