Sugi Predict

Sugi Predict / Compounds / SCHEMBL1109998

SCHEMBL1109998

SCHEMBL1109998

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.42
▸ ACE2 Q9BYF1 1/20 0.41
▸ CA1 P00915 2/20 0.35
▸ SPHK1 Q9NYA1 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TP53 P04637 1/20 0.34
▸ DNM1 Q05193 2/20 0.33
▸ ADH1B P00325 1/20 0.33
▸ ADH1C P00326 1/20 0.33
▸ ADH1A P07327 1/20 0.33
▸ ADH4 P08319 1/20 0.33
▸ ADH7 P40394 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ PRKCG P05129 1/20 0.33
▸ PRKCB P05771 1/20 0.33
▸ PRKCA P17252 1/20 0.33
▸ PRKCH P24723 1/20 0.33
▸ PRKCI P41743 1/20 0.33
▸ PRKCE Q02156 1/20 0.33
▸ PRKCQ Q04759 1/20 0.33

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
SCHEMBL28154825 0.98 ACE2 (0.44) OPRM1ACE2SPHK1LMNADNM1
SCHEMBL28271641 0.98 ACE2 (0.44) OPRM1ACE2SPHK1LMNADNM1
SCHEMBL28153725 0.98 ACE2 (0.44) OPRM1ACE2SPHK1LMNADNM1
SCHEMBL9207452 0.98 ACE2 (0.44) OPRM1ACE2SPHK1LMNADNM1
SCHEMBL27492754 0.98 ACE2 (0.44) OPRM1ACE2SPHK1LMNADNM1
SCHEMBL5084020 0.93 ACE2 (0.44) OPRM1ACE2CA1SPHK1LMNA
SCHEMBL1973133 0.93 DNM1 (0.35) OPRM1ACE2LMNADNM1FDPS
SCHEMBL5087394 0.91 ACE2 (0.47) OPRM1ACE2SPHK1LMNADNM1
SCHEMBL5090284 0.91 ACE2 (0.47) OPRM1ACE2SPHK1LMNADNM1
SCHEMBL5091024 0.91 ACE2 (0.47) OPRM1ACE2SPHK1LMNADNM1

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 22 patents — showing the first 20. 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
CN-106893581-B Organic electroluminescent compounds, organic electroluminescence device and its application 南京高光半导体材料有限公司 2019-11-05 — — CN disclosed
CN-106892914-B Organic electroluminescent compounds, organic electroluminescence device and its application 南京高光半导体材料有限公司 2019-02-01 — — CN 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
US-8557738-B2 Nitrogen-containing heterocyclic derivative and fungicide for agricultural and horticultural use NIPPON SODA CO., LTD. (JP) 2013-10-15 — — US 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-20110136782-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE NIPPON SODA CO., LTD (JP) 2011-06-09 — — US disclosed
EP-2314583-A1 NITROGENATED HETEROCYCLIC DERIVATIVE, AND AGRICULTURAL OR HORTICULTURAL BACTERICIDAL AGENT Nippon Soda Co., Ltd. (JP) 2011-04-27 — — EP disclosed
EP-2280009-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS AND FUNGICIDES FOR AGRICULTURAL AND HORTICULTURAL USE Nippon Soda Co., Ltd. (JP) 2011-02-02 — — 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 (6 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 1453/4885ACE2 2828/4885CA1 4842/4885
US-10160728-B2 Antimicrobial imidazolium compounds CCNI, MACF1, ECI1 OPRM1 1453/4885ACE2 2828/4885CA1 4842/4885
US-20170291877-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS CCNI, MACF1, ECI1 OPRM1 1453/4885ACE2 2828/4885CA1 4842/4885
US-20190016684-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS CCNI, MACF1, ECI1 OPRM1 1453/4885ACE2 2828/4885CA1 4842/4885
US-20080242893-A1 Process for Preparing Optically Active Diphosphanes PHOSPHO1, DCTPP1, DCPS OPRM1 477/4885ACE2 2680/4885CA1 3802/4885
US-20110136782-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE CBR3, NOS1, CBR1 OPRM1 3262/4885ACE2 2690/4885CA1 83/4885

“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.