SCHEMBL1973295

SCHEMBL1973295

[CH2]CCC(C)C(C)CCCCC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
CA1 P00915 2/20 0.38
SPHK1 Q9NYA1 1/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
DNM1 Q05193 2/20 0.36
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
FDPS P14324 1/20 0.34
SMPD1 P17405 3/20 0.34
ACE2 Q9BYF1 1/20 0.34

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
SCHEMBL5090116 0.97 OPRM1 (0.44) OPRM1SPHK1LMNADNM1ADH1B
SCHEMBL5084033 0.97 OPRM1 (0.44) OPRM1SPHK1LMNADNM1ADH1B
SCHEMBL5090678 0.97 OPRM1 (0.44) OPRM1SPHK1LMNADNM1ADH1B
SCHEMBL5085927 0.97 OPRM1 (0.44) OPRM1SPHK1LMNADNM1ADH1B
SCHEMBL5090307 0.97 OPRM1 (0.44) OPRM1SPHK1LMNADNM1ADH1B
SCHEMBL5084029 0.97 OPRM1 (0.44) OPRM1SPHK1LMNADNM1ADH1B
SCHEMBL1970811 0.92 DNM1 (0.38) OPRM1CA1SPHK1LMNADNM1
SCHEMBL5084231 0.90 OPRM1 (0.42) OPRM1CA1SPHK1LMNATP53
SCHEMBL5090907 0.88 OPRM1 (0.41) OPRM1SPHK1LMNADNM1ADH1B
SCHEMBL5086018 0.88 OPRM1 (0.41) OPRM1SPHK1LMNADNM1ADH1B

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 17 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
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
EP-1874409-A1 STRUCTURED MULTI-PHASED PERSONAL CARE COMPOSITION COMPRISING BRANCHED ANIONIC SURFACTANTS The Procter and Gamble Company (US) 2008-01-09 EP disclosed
WO-2007012655-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE DIPHOSPHANES BASF SE (DE) 2007-02-01 WO disclosed
WO-2006113118-A1 STRUCTURED MULTI-PHASED PERSONAL CARE COMPOSITION COMPRISING BRANCHED ANIONIC SURFACTANTS THE PROCTER & GAMBLE COMPANY (US) 2006-10-26 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 OPRM1 1453/4885CA1 4842/4885SPHK1 3784/4885
US-10160728-B2 Antimicrobial imidazolium compounds CCNI, MACF1, ECI1 OPRM1 1453/4885CA1 4842/4885SPHK1 3784/4885
US-20170291877-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS CCNI, MACF1, ECI1 OPRM1 1453/4885CA1 4842/4885SPHK1 3784/4885
US-20190016684-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS CCNI, MACF1, ECI1 OPRM1 1453/4885CA1 4842/4885SPHK1 3784/4885
US-20080242893-A1 Process for Preparing Optically Active Diphosphanes PHOSPHO1, DCTPP1, DCPS OPRM1 477/4885CA1 3802/4885SPHK1 485/4885

“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.