SCHEMBL1972998

SCHEMBL1972998

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.33
CA2 P00918 3/20 0.32
MAPK1 P28482 1/20 0.32
OPRM1 P35372 1/20 0.32
CA1 P00915 1/20 0.31
CTSK P43235 1/20 0.30
ALDH1A1 P00352 2/20 0.30
TDP1 Q9NUW8 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
SCHEMBL5074271 0.91 OPRM1 (0.39) DNM1CA2OPRM1
SCHEMBL1969993 0.85 METAP1 (0.32)
SCHEMBL1780703 0.82 DNM1 (0.31) DNM1CA2MAPK1OPRM1
SCHEMBL21925359 0.80 DNM1 (0.36) DNM1CA2MAPK1OPRM1CA1
SCHEMBL24938316 0.76 OPRM1 (0.37) DNM1CA2MAPK1OPRM1CA1
SCHEMBL1971978 0.75 DNM1 (0.36) DNM1CA2MAPK1OPRM1CA1
SCHEMBL6899437 0.74 MAPT (0.30)
SCHEMBL102615 0.74
SCHEMBL1972020 0.74
SCHEMBL26237970 0.73 DNM1 (0.35) DNM1CA2OPRM1CA1CTSK

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 15 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
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
US-9469662-B2 Process for preparing optically active biophosphinylalkanes BASF SE (DE) 2016-10-18 US disclosed
WO-2016043660-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-03-24 WO disclosed
CN-101253183-B Process for preparing optically active diphosphanes BASF SE 2013-07-10 CN disclosed
EP-1913007-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE DIPHOSPHANES BASF SE (DE) 2011-06-22 EP disclosed
US-20080242893-A1 Process for Preparing Optically Active Diphosphanes BASF AKTIENGESELLSCHAFT (DE) 2008-10-02 US disclosed
CN-101253183-A Process for preparing optically active diphosphanes BASF SE (DE) 2008-08-27 CN disclosed
EP-1913007-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE DIPHOSPHANES BASF SE (DE) 2008-04-23 EP disclosed
WO-2007012655-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE DIPHOSPHANES BASF SE (DE) 2007-02-01 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 (5 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 DNM1 707/4885CA2 3752/4885MAPK1 2695/4885
US-10160728-B2 Antimicrobial imidazolium compounds CCNI, MACF1, ECI1 DNM1 707/4885CA2 3752/4885MAPK1 2695/4885
US-20170291877-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS CCNI, MACF1, ECI1 DNM1 707/4885CA2 3752/4885MAPK1 2695/4885
US-20190016684-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS CCNI, MACF1, ECI1 DNM1 707/4885CA2 3752/4885MAPK1 2695/4885
US-20080242893-A1 Process for Preparing Optically Active Diphosphanes PHOSPHO1, DCTPP1, DCPS DNM1 57/4885CA2 1839/4885MAPK1 489/4885

“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.