SCHEMBL4529659

SCHEMBL4529659

C=C(CCN(C)C)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
TSHR P16473 1/20 0.42
DNM1 Q05193 1/20 0.37
CYP2C9 P11712 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRM3 P20309 1/20 0.36
CHRNA4 P43681 1/20 0.36
MAPT P10636 3/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
GLO1 Q04760 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 2/20 0.33
THRB P10828 2/20 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
SCHEMBL1063225 0.89 APOBEC3A (0.41) ALDH1A1TSHRDNM1CYP2C9CHRM2
SCHEMBL28239546 0.85 DNM1 (0.42) ALDH1A1TSHRDNM1CHRM2CHRM4
SCHEMBL27545231 0.84 CHRM1 (0.50) ALDH1A1TSHRDNM1CHRM2CHRM4
SCHEMBL7095817 0.84 CHRM2 (0.36) DNM1CHRM2CHRM4CHRM5CHRM1
SCHEMBL14533248 0.83 ALDH1A1 (0.52) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL124969 0.82 CHRM2 (0.35) DNM1CHRM2CHRM4CHRM5CHRM1
Water SCHEMBL28391694 0.81 CHRM2 (0.34) DNM1CHRM2CHRM4CHRM5CHRM1
SCHEMBL27429281 0.79 ALDH1A1 (0.39) ALDH1A1TSHRCYP2C9CHRM2CHRM1
SCHEMBL6243061 0.79 CHRM2 (0.33) DNM1CHRM2CHRM4CHRM5CHRM1
SCHEMBL972806 0.79 TSHR (0.39) ALDH1A1TSHRDNM1CHRM2CHRM4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114716373-A Preparation method of gatifloxacin cyclized ester 内蒙古源宏精细化工有限公司 2022-07-08 CN disclosed
CN-106918999-B Colored photosensitive resin composition, color filter and image display device 东友精细化工有限公司 2021-11-23 CN disclosed
EP-3093284-A1 ETHEREAL OXYGEN-CONTAINING PERFLUOROALKYL GROUP-SUBSTITUTED PYRAZOLE COMPOUND AND PRODUCTION METHOD THEREFOR Asahi Glass Company, Limited (JP) 2016-11-16 EP disclosed
US-20160295864-A1 ETHEREAL OXYGEN ATOM-CONTAINING PERFLUOROALKYL GROUP-SUBSTITUTED PYRAZOLE RING COMPOUND AND METHOD FOR ITS PRODUCTION ASAHI GLASS COMPANY, LIMITED (JP) 2016-10-13 US disclosed
CN-102781677-B Inkjet treatment liquid, inkjet recording apparatus, inkjet recording method and image formation RICOH CO LTD 2014-07-09 CN disclosed
CN-102781677-A Inkjet treatment liquid and inkjet recording apparatus RICOH CO LTD 2012-11-14 CN disclosed
US-20090176924-A1 PULVERULENT COMPOSITION BASED ON CARBON NANOTUBES, METHODS OF OBTAINING THEM AND ITS USES, ESPECIALLY IN POLYMERIC MATERIALS ARKEMA FRANCE (FR) 2009-07-09 US 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 (1 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-20160295864-A1 ETHEREAL OXYGEN ATOM-CONTAINING PERFLUOROALKYL GROUP-SUBSTITUTED PYRAZOLE RING COMPOUND AND METHOD FOR ITS PRODUCTION CYP2F1, CYP2E1, CYP2C19 ALDH1A1 738/4885TSHR 270/4885DNM1 3787/4885

“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.