SCHEMBL10013754

SCHEMBL10013754

CC[Si](CC)(CC)Oc1cccc(C=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.49
MAOB P27338 7/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
SRC P12931 1/20 0.47
ALDH1A1 P00352 6/20 0.40
POLB P06746 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 1/20 0.38
BLM P54132 1/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL5888465 0.83 TP53 (0.44) MAOAMAOBTDP1ALDH1A1SMN1; SMN2
SCHEMBL3438169 0.80 SRC (0.51) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL9375950 0.78 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KDM4EKMT2AMAPT
SCHEMBL493931 0.77 MAOA (0.62) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL29432706 0.77 MAOA (0.62) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL25221171 0.76 SRC (0.47) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL30533425 0.76 SRC (0.47) MAOAMAOBNPC1RAB9ATDP1
Benzene SCHEMBL27795602 0.75 MAOA (0.65) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL1010834 0.75 HSP90AA1 (0.50) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL10013789 0.74 ACHE (0.52) TDP1ALDH1A1MAPTGAAL3MBTL1

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-8168833-B2 Schwartz reagents: methods of in situ generation and use QUEEN'S UNIVERSITY AT KINGSTON (CA) 2012-05-01 US disclosed
US-20100145060-A1 Schwartz Reagents: Methods of In Situ Generation and Use QUEEN'S UNIVERSITY AT KINGSTON (CA) 2010-06-10 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-20100145060-A1 Schwartz Reagents: Methods of In Situ Generation and Use CBR3, CBR1, ZFR MAOA 3170/4885MAOB 3007/4885NPC1 1362/4885

“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.