SCHEMBL445269

SCHEMBL445269

O=C1CC2(CCOCC2)Cc2ccc(Br)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.40
BACE1 P56817 2/20 0.37
APP P05067 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TDP2 O95551 1/20 0.36
PARP1 P09874 1/20 0.36
PARP10 Q53GL7 1/20 0.36
TGM2 P21980 1/20 0.36
CES1 P23141 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
CMA1 P23946 1/20 0.35
AHR P35869 1/20 0.35
CYP11B2 P19099 2/20 0.34
S100A4 P26447 1/20 0.34
METAP1 P53582 1/20 0.34
PBRM1 Q86U86 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 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
SCHEMBL444593 0.86 TDP1 (0.39) LRRK2BACE1APPTDP1L3MBTL1
SCHEMBL30898650 0.77 LRRK2 (0.41) LRRK2BACE1APPTDP1L3MBTL1
SCHEMBL27840 0.77 LRRK2 (0.41) LRRK2BACE1APPTDP1L3MBTL1
SCHEMBL30701 0.77 LRRK2 (0.38) LRRK2BACE1APPTDP1L3MBTL1
SCHEMBL427867 0.72 ALDH1A1 (0.44) TDP1L3MBTL1TDP2PARP1PARP10
SCHEMBL10195052 0.72 ESR1 (0.32) LRRK2PBRM1
SCHEMBL28628147 0.72 CA1 (0.48) HTR2AHTR2CLMNAMAPTHTT
SCHEMBL1819491 0.72 KDM4E (0.54) L3MBTL1PBRM1MAPTHTTCA1
SCHEMBL9948270 0.71 APP (0.38) LRRK2BACE1APPTDP1L3MBTL1
SCHEMBL20467003 0.71 APP (0.38) LRRK2BACE1APPTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-03-15 US disclosed
WO-2011123674-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-06 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-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES APP, BACE1, PSEN1 LRRK2 88/4885BACE1 2/4885APP 1/4885

“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.