SCHEMBL620976

SCHEMBL620976

[CH2]CC(C)(C)CCC(C)(C)CC

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL10986486 0.87
SCHEMBL38441 0.83
SCHEMBL20609970 0.83 TSHR (0.46) TSHRTDP1
SCHEMBL17607595 0.78 TSHR (0.35) TSHRTDP1
SCHEMBL43156 0.78
SCHEMBL43753 0.78
Ammonia Solution, Strong SCHEMBL27649357 0.75
SCHEMBL17607371 0.75 TSHR (0.33) TSHRTDP1
SCHEMBL633248 0.73
SCHEMBL7971234 0.73 TSHR (0.47) TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3194371-B1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS AGENCY SCIENCE TECH & RES (SG) 2020-09-02 EP disclosed
CN-107108518-B Antibacterial imidazolium compounds 新加坡科技研究局 2020-08-11 CN disclosed
US-10570097-B2 Antimicrobial imidazolium compounds AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-02-25 US disclosed
US-20190016684-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-01-17 US disclosed
US-10160728-B2 Antimicrobial imidazolium compounds AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-12-25 US disclosed
US-20170291877-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-10-12 US disclosed
EP-3194371-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS Agency for Science, Technology and Research (SG) 2017-07-26 EP disclosed
WO-2016043660-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-03-24 WO disclosed
EP-2208726-B1 Cyclic amide derivatives, and their production and use as antithrombotic agents TAKEDA PHARMACEUTICAL (JP) 2014-08-20 EP disclosed
WO-2012019772-A1 METHOD FOR TREATING PROTOZOAN PARASITIC DISEASES INSTITUT DE RECHERCHE POUR LE DEVELOPPEMENT (I.R.D) (FR) 2012-02-16 WO disclosed
US-7842706-B2 Pharmaceutical composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-30 US disclosed
EP-2208726-A1 Cyclic amide derivatives, and their production and use as antithrombotic agents Takeda Pharmaceutical Company Limited (JP) 2010-07-21 EP disclosed
US-20090246232-A1 Pharmaceutical composition TAKEDA PHARMACEUTICAL COMPANY, LIMITED 2009-10-01 US disclosed
US-7538125-B2 Pharmaceutical composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-26 US disclosed
US-20070203198-A1 Pharmaceutical composition TAKEDA PHARMACEUTICAL COMPANY LIMITED 2007-08-30 US disclosed
US-7144900-B2 Insulin sensitivity enhancer such as 5 -[[4-[2-(methyl-2-pyridylamino)ethoxy]phenyl]methyl]-2,4-thiazolidinedione or salt and a statin; antidiabetic agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-12-05 US disclosed
US-20050054685-A1 Pharmaceutical composition TAKEDA CHEMICAL INDUSTRIES, LTD. 2005-03-10 US disclosed
CN-1088711-C Cephem compounds and medicines containing the same SHIONOGI PHARMACEUTICAL & CO L (JP) 2002-08-07 CN 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 (7 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-10570097-B2 Antimicrobial imidazolium compounds CCNI, MACF1, ECI1 TSHR 3989/4885TDP1 4399/4885
US-20050054685-A1 Pharmaceutical composition GPR119, IAPP, INSR TSHR 1868/4885TDP1 2516/4885
US-10160728-B2 Antimicrobial imidazolium compounds CCNI, MACF1, ECI1 TSHR 3989/4885TDP1 4399/4885
US-20070203198-A1 Pharmaceutical composition GPR119, IAPP, INSR TSHR 1868/4885TDP1 2516/4885
US-20170291877-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS CCNI, MACF1, ECI1 TSHR 3989/4885TDP1 4399/4885
US-20190016684-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS CCNI, MACF1, ECI1 TSHR 3989/4885TDP1 4399/4885
US-20090246232-A1 Pharmaceutical composition GPR119, IAPP, INSR TSHR 1868/4885TDP1 2516/4885

“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.