SCHEMBL2089845

SCHEMBL2089845

CCCCCOCN(Cc1ccccc1)C[Si](C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.37
CNR2 P34972 1/20 0.36
LTA4H P09960 1/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
BCHE P06276 1/20 0.36
MAOB P27338 4/20 0.36
APAF1 O14727 1/20 0.35

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
SCHEMBL118309 0.96 ALDH1A1 (0.40) CNR2LTA4HTSHRMAPK1ALDH1A1
SCHEMBL14673301 0.85 CNR2 (0.44) CNR2TSHRMAPK1ALDH1A1BCHE
SCHEMBL6551944 0.82 ALDH1A1 (0.40) CNR2TSHRMAPK1ALDH1A1
SCHEMBL6958576 0.82 OPRM1 (0.44) KCNH2BCHE
SCHEMBL18597669 0.80 ALDH1A1 (0.35) KCNH2CNR2TSHRMAPK1ALDH1A1
SCHEMBL102928 0.77 TSHR (0.42) CNR2TSHRMAPK1ALDH1A1BCHE
SCHEMBL20367069 0.76 MAPT (0.50) TSHRMAPK1ALDH1A1
SCHEMBL14759611 0.76 KCNH2 (0.47) KCNH2BCHE
SCHEMBL28903641 0.76 SIGMAR1 (0.46) KCNH2TSHRALDH1A1BCHEMAOB
SCHEMBL14759414 0.76 KCNH2 (0.47) KCNH2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329908-B2 Dual action antibiotics MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2012-12-11 US disclosed
US-20110059946-A1 DUAL ACTION ANTIBIOTICS MORPHOCHEM AKTIENGESELLSCHAFT FUER KOMBINATORISCHE CHEMIE (DE) 2011-03-10 US disclosed
US-7820823-B2 Dual action antibiotics Morphochem Aktiengesellschaft Fur Kominatorische Chemi (DE) 2010-10-26 US disclosed
US-20050096343-A1 Dual action antibiotics MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2005-05-05 US disclosed
EP-1432705-A2 DUAL ACTION ANTIBIOTICS Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2004-06-30 EP disclosed
WO-2003032962-A2 DUAL ACTION ANTIBIOTICS Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2003-04-24 WO disclosed
WO-2003031443-A1 DUAL ACTIONS ANTIBIOTICS COMPRISING A OXAZOLDINONE AND A QUINOLONE OR NAPHTHYRIDINONE MOIETY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2003-04-17 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 (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-20050096343-A1 Dual action antibiotics SLC11A2, MRPL21, MAP2K5 KCNH2 2745/4885CNR2 4574/4885LTA4H 2847/4885
US-20110059946-A1 DUAL ACTION ANTIBIOTICS SLC11A2, MRPL21, MAP2K5 KCNH2 3313/4885CNR2 4615/4885LTA4H 2922/4885

“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.