SCHEMBL6525877

SCHEMBL6525877

CC(C)(C)[Si](C)(C)OCCOCc1cccc(C=O)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.42
MAOB P27338 7/20 0.42
DUT P33316 2/20 0.40
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BACE1 P56817 1/20 0.32
BRD4 O60885 1/20 0.32

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
SCHEMBL4332449 0.88 MAOA (0.47) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL3933674 0.85 MAOA (0.39) MAOAMAOBDUTNPC1RAB9A
SCHEMBL30688444 0.85 MAOA (0.39) MAOAMAOBDUTNPC1RAB9A
Alcohol SCHEMBL9337072 0.83 MAOA (0.43) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL30840869 0.83 DUT (0.38) MAOAMAOBDUTNPC1RAB9A
SCHEMBL1246141 0.82 DUT (0.37) MAOAMAOBDUTNPC1RAB9A
SCHEMBL25389100 0.81 MAOA (0.45) MAOAMAOBDUTNPC1RAB9A
SCHEMBL30571233 0.81 MAOA (0.45) MAOAMAOBDUTNPC1RAB9A
SCHEMBL6525763 0.80 IDO1 (0.49) MAOAMAOBDUT
SCHEMBL616129 0.78 MAOA (0.48) MAOAMAOBNPC1RAB9ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 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 (2 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-20130018037-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 MAOA 560/4885MAOB 514/4885DUT 2957/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 MAOA 560/4885MAOB 514/4885DUT 2957/4885

“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.