SCHEMBL17607404

SCHEMBL17607404

[CH2]CCC(C)(C)C(C)CCCC

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FDPS P14324 1/20 0.31
DNM1 Q05193 2/20 0.31
CA2 P00918 1/20 0.30
MAPK1 P28482 1/20 0.30
OPRM1 P35372 1/20 0.30

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
SCHEMBL17607448 0.86
SCHEMBL21989957 0.84 DNM1 (0.35) TSHRSMN1; SMN2FDPSDNM1CA2
SCHEMBL17607708 0.83 OPRM1 (0.30) OPRM1
SCHEMBL1970000 0.82 DNM1 (0.33) TSHRSMN1; SMN2DNM1CA2MAPK1
SCHEMBL6899437 0.79 MAPT (0.30) SMN1; SMN2
SCHEMBL28880009 0.77 OPRM1 (0.42) SMN1; SMN2FDPSDNM1CA2OPRM1
SCHEMBL26699776 0.77
SCHEMBL7756753 0.77 DNM1 (0.36) TSHRSMN1; SMN2FDPSDNM1CA2
SCHEMBL10496784 0.77
SCHEMBL28291440 0.76 OPRM1 (0.41) TSHRFDPSDNM1CA2OPRM1

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 9 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
CN-107108518-A Antibacterial imidazolium compounds 新加坡科技研究局 2017-08-29 CN 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

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-10570097-B2 Antimicrobial imidazolium compounds CCNI, MACF1, ECI1 TSHR 3989/4885SMN1; SMN2 4220/4885FDPS 706/4885
US-10160728-B2 Antimicrobial imidazolium compounds CCNI, MACF1, ECI1 TSHR 3989/4885SMN1; SMN2 4220/4885FDPS 706/4885
US-20170291877-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS CCNI, MACF1, ECI1 TSHR 3989/4885SMN1; SMN2 4220/4885FDPS 706/4885
US-20190016684-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS CCNI, MACF1, ECI1 TSHR 3989/4885SMN1; SMN2 4220/4885FDPS 706/4885

“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.