SCHEMBL20175202

SCHEMBL20175202

Clc1ccc(-c2coc3ccccc23)c(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.42
MAOB P27338 6/20 0.38
MAOA P21397 3/20 0.38
THRB P10828 1/20 0.37
MIF P14174 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTPN1 P18031 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
GSK3B P49841 1/20 0.35
MAPT P10636 1/20 0.35
GRK2 P25098 1/20 0.34
IDH1 O75874 1/20 0.34

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
SCHEMBL20174695 0.79 MAOB (0.42) MAOBMAOAMIFCHRM2CHRM4
SCHEMBL20777154 0.77 AHR (0.42) AHRMAOBMAOATHRBMIF
SCHEMBL2490828 0.76 CHRM2 (0.50) MAOBMAOAMIFCHRM2CHRM4
SCHEMBL20733838 0.76 THRB (0.39) AHRMAOBMAOATHRBMIF
SCHEMBL10015032 0.75 S100A4 (0.38) AHRMAPT
SCHEMBL16491684 0.75 AHR (0.51) AHRMAOA
SCHEMBL20599056 0.74 S100A4 (0.46) AHRALDH1A1HSD17B10
SCHEMBL11465458 0.74 MAOB (0.46) AHRMAOBMAOATHRBMIF
SCHEMBL20175199 0.74 PDK2 (0.41) MAOBMAOADRD2DRD4DRD3
SCHEMBL23419506 0.74 IDH1 (0.41) AHRMAOBMAOATHRBMIF

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-20180145261-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 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-20180145261-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, NR2E3, ALDH1A2 AHR 1063/4885MAOB 2695/4885MAOA 3157/4885

“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.