SCHEMBL17607693

SCHEMBL17607693

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.35
MAPK1 P28482 1/20 0.35
CA1 P00915 4/20 0.34
FDPS P14324 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.32
DNM1 Q05193 2/20 0.32

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
SCHEMBL6788512 0.86
SCHEMBL796692 0.81 CA2 (0.38) CA2MAPK1CA1FDPSALDH1A1
SCHEMBL17607659 0.80 TSHR (0.30) TSHR
SCHEMBL11496837 0.78 CA2 (0.42) CA2MAPK1CA1FDPSALDH1A1
SCHEMBL1024157 0.77 CA2 (0.35) CA2MAPK1CA1FDPSALDH1A1
SCHEMBL17607423 0.76 CA2 (0.38) CA2MAPK1CA1FDPSALDH1A1
SCHEMBL1970000 0.74 DNM1 (0.33) CA2MAPK1CA1ALDH1A1TDP1
SCHEMBL29163123 0.73 FDPS (0.42) CA2FDPSALDH1A1TSHRDNM1
SCHEMBL21556882 0.72 CA2 (0.33) CA2MAPK1CA1FDPSALDH1A1
SCHEMBL11806750 0.71 CA2 (0.41) CA2MAPK1CA1FDPSALDH1A1

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 CA2 3752/4885MAPK1 2695/4885CA1 4842/4885
US-10160728-B2 Antimicrobial imidazolium compounds CCNI, MACF1, ECI1 CA2 3752/4885MAPK1 2695/4885CA1 4842/4885
US-20170291877-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS CCNI, MACF1, ECI1 CA2 3752/4885MAPK1 2695/4885CA1 4842/4885
US-20190016684-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS CCNI, MACF1, ECI1 CA2 3752/4885MAPK1 2695/4885CA1 4842/4885

“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.