SCHEMBL3933545

SCHEMBL3933545

COc1ccc(COc2cc(C(=O)c3ccc(COC(C)=O)nc3)cc(-c3cccc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 9/20 0.35
SMPD1 P17405 1/20 0.34
BRD4 O60885 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
MAOB P27338 1/20 0.33
KMT2A Q03164 2/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.32
PTGER1 P34995 1/20 0.32
PPARA Q07869 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
SCHEMBL3929353 0.92 VNN1 (0.36) VNN1SMPD1BRD4KDM4EALDH1A1
SCHEMBL3926276 0.89 VNN1 (0.37) VNN1SMPD1BRD4KDM4EALDH1A1
SCHEMBL3931122 0.86 KMT2A (0.43) VNN1SMPD1KDM4EALDH1A1MAPT
SCHEMBL3927709 0.77 MAOB (0.40) SMPD1BRD4KDM4EALDH1A1MAPT
SCHEMBL3925114 0.76 KDM4E (0.40) SMPD1KDM4EALDH1A1MAPTHPGD
SCHEMBL3933611 0.75 MAOB (0.45) VNN1SMPD1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3934029 0.73 DYRK1B (0.42) BRD4KDM4EALDH1A1MAPTHPGD
SCHEMBL3929259 0.71 KDR (0.39) VNN1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL3929916 0.71 DYRK1B (0.40) BRD4KDM4EALDH1A1MAPTHPGD
SCHEMBL3925118 0.70 BRD4 (0.32) BRD4KDM4EALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2009-04-09 US disclosed
US-7504401-B2 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US disclosed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 WO disclosed
US-20060270686-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. 2006-11-30 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 (3 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-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 VNN1 3224/4885SMPD1 4616/4885BRD4 984/4885
US-20060270686-A1 Anti-cancer agents and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 VNN1 3261/4885SMPD1 4584/4885BRD4 928/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 VNN1 3106/4885SMPD1 4219/4885BRD4 2707/4885

“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.