SCHEMBL3621665

SCHEMBL3621665

COC(=O)Cc1ccc(F)cc1C#C[Si](C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 3/20 0.35
GLA P06280 2/20 0.35
GAA P10253 2/20 0.35
IDO1 P14902 1/20 0.35
HPGD P15428 2/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 1/20 0.34
P2RX7 Q99572 5/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CASP3 P42574 1/20 0.33
HSP90AB1 P08238 1/20 0.33
LMNA P02545 1/20 0.33
HK1 P19367 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
SCHEMBL15523818 0.83 MEN1 (0.39) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL15524039 0.80 ALDH1A1 (0.38) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL18245557 0.80 KDM4E (0.43) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL3623135 0.80 KDM4E (0.43) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL21678920 0.76 NPC1 (0.43) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL14535339 0.76 ALDH1A1 (0.39) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL15524228 0.75 PPARG (0.39) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL3967997 0.75 SMN1; SMN2 (0.48) ALDH1A1GAAIDO1P2RX7SMN1; SMN2
SCHEMBL14186623 0.75 GAA (0.46) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL29836179 0.75 SMN1; SMN2 (0.48) ALDH1A1GAAIDO1P2RX7SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266864-B2 VEGFR3 inhibitors CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2016-02-23 US disclosed
US-9266864-B2 VEGFR3 inhibitors CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2016-02-23 US disclosed
US-9266864-B2 VEGFR3 inhibitors CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2016-02-23 US disclosed
US-20150225377-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2015-08-13 US disclosed
US-20150225377-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2015-08-13 US disclosed
US-20150225377-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2015-08-13 US disclosed
US-20140080798-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2014-03-20 US disclosed
US-20140080798-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2014-03-20 US disclosed
US-20140080798-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2014-03-20 US disclosed
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling METHYLGENE, INC. 2010-09-30 US disclosed
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling METHYLGENE, INC. 2010-09-30 US disclosed
US-7790729-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2010-09-07 US disclosed
US-7790729-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2010-09-07 US disclosed
EP-1904504-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING Methylgene, Inc. (CA) 2008-04-02 EP disclosed
WO-2007054831-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. (CA) 2007-05-18 WO disclosed
US-20060287343-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. 2006-12-21 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 (4 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-20150225377-A1 VEGFR3 INHIBITORS FLT4, FLT1, KDR ALDH1A1 1985/4885KDM4E 2523/4885GLA 3203/4885
US-20060287343-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING HGF, MET, FLT1 ALDH1A1 1649/4885KDM4E 4094/4885GLA 2918/4885
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling HGF, MET, FLT1 ALDH1A1 1649/4885KDM4E 4094/4885GLA 2918/4885
US-20140080798-A1 VEGFR3 INHIBITORS FLT4, FLT1, KDR ALDH1A1 2096/4885KDM4E 1897/4885GLA 2940/4885

“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.