SCHEMBL446087

SCHEMBL446087

CC1(CO[Si](C)(C)C(C)(C)C)CC(=O)c2cc(Br)ccc2C1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.33
PBRM1 Q86U86 1/20 0.31
BACE1 P56817 1/20 0.31
AVPR1A P37288 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TDP2 O95551 1/20 0.30
PARP1 P09874 1/20 0.30
PARP10 Q53GL7 1/20 0.30
PDE4B Q07343 1/20 0.30
MALT1 Q9UDY8 1/20 0.30

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
SCHEMBL445200 0.86 METAP1 (0.31) PDE4B
SCHEMBL1981849 0.78 AKT1 (0.42) MAOBPBRM1
SCHEMBL448438 0.75 ESR1 (0.37) MAOBPBRM1TDP1L3MBTL1TDP2
SCHEMBL448169 0.74 AKR1B1 (0.36) BACE1
SCHEMBL17926667 0.73 ADRA2A (0.33) AVPR1A
SCHEMBL446461 0.73 MAOB (0.40) MAOBTDP1L3MBTL1TDP2PARP1
SCHEMBL446356 0.73 BACE1 (0.43) BACE1
SCHEMBL450442 0.71 BACE1 (0.54) BACE1
SCHEMBL450443 0.71 BACE1 (0.54) BACE1
SCHEMBL8511469 0.71 AKT1 (0.46) MAOBPBRM1

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 MAOB 781/4885PBRM1 4098/4885BACE1 2/4885

“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.