SCHEMBL100630

SCHEMBL100630

CC(C)(C)[Si](C)(C)OCCCCCN

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.37
DNM1 Q05193 9/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA3 P07451 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
BLM P54132 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ODC1 P11926 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
SCHEMBL8156589 1.00 DUT (0.37) DUTDNM1CA12CA1CA2
SCHEMBL8057981 1.00 DUT (0.37) DUTDNM1CA12CA1CA2
SCHEMBL28903381 1.00 DUT (0.37) DUTDNM1CA12CA1CA2
SCHEMBL1785391 0.98 DUT (0.38) DUTDNM1CA12CA1CA2
Hydrochloric Acid SCHEMBL29281207 0.96 DUT (0.37) DUTDNM1ODC1
SCHEMBL1038400 0.91 ODC1 (0.42) DUTODC1
SCHEMBL9007756 0.89 DUT (0.42) DUT
SCHEMBL14245094 0.89 DUT (0.42) DUT
SCHEMBL27241092 0.89 DUT (0.42) DUT
SCHEMBL8063404 0.86 DUT (0.43) DUT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002033146-A1 BONDING AGENT CONTAINING ALKOXYSILANE FOR PAINT AND ADHESIVES ON METAL HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-04-25 WO claimed
US-9072734-B2 Quaternary ammonium salt compounds TEIJIN PHARMA LIMITED (JP) 2015-07-07 US disclosed
EP-2426121-A1 QUATERNARY AMMONIUM SALT COMPOUND Teijin Pharma Limited (JP) 2012-03-07 EP disclosed
US-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS TEIJIN PHARMA LIMITED (JP) 2012-02-23 US disclosed
US-8013065-B2 Methods for making multi-branched polymers INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-09-06 US disclosed
US-20100311917-A1 METHODS FOR MAKING MULTI-BRANCHED POLYMERS INTERNATIONAL BUSINESS MACHINES CORPORATION 2010-12-09 US disclosed
EP-1482924-A4 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2006-03-08 EP disclosed
EP-1482924-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC. (CA) 2004-12-08 EP disclosed
WO-2003075836-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-09-18 WO disclosed
WO-2002033146-A1 BONDING AGENT CONTAINING ALKOXYSILANE FOR PAINT AND ADHESIVES ON METAL HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-04-25 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-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS ADRB2, AGTR2, ADRB3 DUT 3570/4885DNM1 1564/4885CA12 626/4885

“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.