SCHEMBL1973151

SCHEMBL1973151

[CH2]CC(C)(C)C(C)CCCCC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
CA1 P00915 2/20 0.34
SPHK1 Q9NYA1 1/20 0.34
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.33
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
CA2 P00918 1/20 0.32
DNM1 Q05193 2/20 0.32
ACE2 Q9BYF1 1/20 0.31
FDPS P14324 2/20 0.31
TSHR P16473 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
SCHEMBL1970000 0.93 DNM1 (0.33) OPRM1CA1CA2DNM1TSHR
SCHEMBL1969358 0.83 TSHR (0.31) TSHR
SCHEMBL20609980 0.81 OPRM1 (0.44) OPRM1CA1SPHK1TP53LMNA
SCHEMBL2761465 0.79 OPRM1 (0.42) OPRM1SPHK1LMNAADH1BADH1C
SCHEMBL29209888 0.79 OPRM1 (0.42) OPRM1SPHK1LMNAADH1BADH1C
SCHEMBL28880009 0.79 OPRM1 (0.42) OPRM1CA1SPHK1TP53LMNA
SCHEMBL8377668 0.77 LMNA (0.43) OPRM1CA1SPHK1TP53LMNA
SCHEMBL14978790 0.77 LMNA (0.43) OPRM1CA1SPHK1TP53LMNA
SCHEMBL13060029 0.77 OPRM1 (0.46) OPRM1CA1SPHK1TP53DNM1
SCHEMBL28291440 0.77 OPRM1 (0.41) OPRM1SPHK1LMNAADH1BADH1C

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 13 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
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
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 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.