SCHEMBL2289638

SCHEMBL2289638

COCOc1ccccc1C#C[Si](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
GRM5 P41594 1/20 0.34
XDH P47989 1/20 0.34
KCNN4 O15554 1/20 0.33
CREBBP Q92793 1/20 0.33
ABL1 P00519 1/20 0.32
PTPN1 P18031 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
SCHEMBL29636414 0.80 GRM5 (0.49) ALDH1A1HPGDTSHRKDM4EMEN1
SCHEMBL852452 0.80 GRM5 (0.49) ALDH1A1HPGDTSHRKDM4EMEN1
SCHEMBL3846189 0.78 ALDH1A1 (0.41) ALDH1A1HPGDTSHRKDM4EMEN1
SCHEMBL6813969 0.76 NPC1 (0.55) ALDH1A1NPC1RAB9AHTR1A
SCHEMBL2291084 0.75 NPC1 (0.37) ALDH1A1HPGDTSHRPTGDR2XDH
SCHEMBL29530857 0.75 GAA (0.51) ALDH1A1HPGDTSHRKDM4EXDH
SCHEMBL18587828 0.75 GAA (0.51) ALDH1A1HPGDTSHRKDM4EXDH
SCHEMBL19923183 0.75 FDPS (0.46) ALDH1A1HPGDTSHRMEN1MAPT
SCHEMBL2292901 0.74 PTGDR2 (0.46) ALDH1A1HPGDTSHRPTGDR2XDH
SCHEMBL7930623 0.74 XDH (0.49) ALDH1A1HPGDTSHRKDM4EXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989430-B2 Antibacterial agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 US disclosed
US-7989430-B2 Antibacterial agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 US disclosed
US-20080293666-A1 Antibacterial Agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-11-27 US disclosed
US-20080293666-A1 Antibacterial Agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-11-27 US disclosed
EP-1960518-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-08-27 EP disclosed
WO-2007067559-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-06-14 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-20080293666-A1 Antibacterial Agents MRPL21, ABCB7, MSR1 ALDH1A1 1972/4885HPGD 2789/4885TSHR 625/4885

“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.