SCHEMBL17607609

SCHEMBL17607609

[CH2]CC(C)(CC)C(C)CCCC

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL27585137 0.92 ADH1B (0.37) TSHRDNM1CA2OPRM1
SCHEMBL17607542 0.86
SCHEMBL11496923 0.86 DNM1 (0.36) TSHRSMN1; SMN2DNM1CA2MAPK1
SCHEMBL1970000 0.77 DNM1 (0.33) TSHRSMN1; SMN2DNM1CA2MAPK1
SCHEMBL9557352 0.77 OPRM1 (0.42) TSHRDNM1CA2OPRM1
SCHEMBL10497014 0.77
SCHEMBL11662652 0.74 CA2 (0.34) TSHRSMN1; SMN2DNM1CA2MAPK1
SCHEMBL7756753 0.72 DNM1 (0.36) TSHRSMN1; SMN2DNM1CA2MAPK1
SCHEMBL28233709 0.72 DNM1 (0.36) TSHRSMN1; SMN2DNM1CA2MAPK1
SCHEMBL1971978 0.72 DNM1 (0.36) TSHRSMN1; SMN2DNM1CA2MAPK1

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 4220/4885DNM1 707/4885
US-10160728-B2 Antimicrobial imidazolium compounds CCNI, MACF1, ECI1 TSHR 3989/4885SMN1; SMN2 4220/4885DNM1 707/4885
US-20170291877-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS CCNI, MACF1, ECI1 TSHR 3989/4885SMN1; SMN2 4220/4885DNM1 707/4885
US-20190016684-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS CCNI, MACF1, ECI1 TSHR 3989/4885SMN1; SMN2 4220/4885DNM1 707/4885

“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.