SCHEMBL1970067

SCHEMBL1970067

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA2 P00918 3/20 0.32
MAPK1 P28482 1/20 0.32
OPRM1 P35372 1/20 0.32
CTSK P43235 1/20 0.32
CA1 P00915 1/20 0.31
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
SCHEMBL1972025 0.85 TSHR (0.31) TSHR
SCHEMBL20609958 0.80 DNM1 (0.36) DNM1TSHRSMN1; SMN2CA2MAPK1
SCHEMBL9173268 0.76 OPRM1 (0.42) DNM1TSHRSMN1; SMN2CA2MAPK1
SCHEMBL1971978 0.75 DNM1 (0.36) DNM1TSHRSMN1; SMN2CA2MAPK1
SCHEMBL1284728 0.74 TSHR (0.37) DNM1TSHRSMN1; SMN2CA2MAPK1
SCHEMBL1971553 0.74
SCHEMBL597711 0.74 DNM1 (0.39) DNM1TSHRSMN1; SMN2CA2MAPK1
SCHEMBL16938285 0.73 TSHR (0.35) DNM1TSHRSMN1; SMN2CA2MAPK1
SCHEMBL25792817 0.73 TSHR (0.31) DNM1TSHRSMN1; SMN2CA2MAPK1
Ammonia Solution, Strong SCHEMBL4446984 0.72 DNM1 (0.38) DNM1TSHRSMN1; SMN2CA2MAPK1

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 16 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
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 707/4885TSHR 3989/4885SMN1; SMN2 4220/4885
US-10160728-B2 Antimicrobial imidazolium compounds CCNI, MACF1, ECI1 DNM1 707/4885TSHR 3989/4885SMN1; SMN2 4220/4885
US-20170291877-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS CCNI, MACF1, ECI1 DNM1 707/4885TSHR 3989/4885SMN1; SMN2 4220/4885
US-20190016684-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS CCNI, MACF1, ECI1 DNM1 707/4885TSHR 3989/4885SMN1; SMN2 4220/4885
US-20080242893-A1 Process for Preparing Optically Active Diphosphanes PHOSPHO1, DCTPP1, DCPS DNM1 57/4885TSHR 4357/4885SMN1; SMN2 4647/4885

“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.