SCHEMBL1025534

SCHEMBL1025534

C=C(C)C(=O)[PH](=O)OCC[N+](C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 6/20 0.44
CHRM1 P11229 6/20 0.44
CHRM3 P20309 6/20 0.44
CHRM2 P08172 5/20 0.44
CHRM4 P08173 5/20 0.44
CHRNB2 P17787 4/20 0.44
CHRNA4 P43681 4/20 0.44
CHRNA7 P36544 3/20 0.44
HTR1A P08908 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PGR P06401 1/20 0.44
TBXA2R P21731 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA10 Q9GZZ6 1/20 0.44
CHRNA9 Q9UGM1 1/20 0.44
GALR3 O60755 2/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
ADRA2A P08913 1/20 0.39

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
SCHEMBL28553387 0.76 CHRM5 (0.42) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL4271128 0.76 CHRM5 (0.45) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL8910739 0.76 CHRM1 (0.45) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL2022215 0.75 CHRM5 (0.41) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL1003888 0.74 CHRM5 (0.39) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL28355454 0.74 CHRM1 (0.40) CHRM5CHRM1CHRM3CHRM2CHRM4
Methacrylic Acid SCHEMBL28676577 0.74 CHRM1 (0.40) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL28643330 0.74 CHRM5 (0.40) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL22973395 0.73 CHRM5 (0.39) CHRM5CHRM1CHRM3CHRM2CHRM4
Methacrylic Acid SCHEMBL22721392 0.73 CHRM5 (0.39) CHRM5CHRM1CHRM3CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9750847-B2 Chitosan hydrogel derivatives as a coating agent with broad spectrum of antimicrobial activities NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2017-09-05 US disclosed
US-20160038636-A1 CHITOSAN HYDROGEL DERIVATIVES AS A COATING AGENT WITH BROAD SPECTRUM OF ANTIMICROBIAL ACTIVITIES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-02-11 US disclosed
EP-2454286-B1 CHITOSAN HYDROGEL DERIVATIVES AS A COATING AGENT WITH BROAD SPECTRUM OF ANTIMICROBIAL ACTIVITIES MENICON CO LTD (JP) 2015-12-16 EP disclosed
US-9199000-B2 Chitosan hydrogel derivatives as a coating agent with broad spectrum of antimicrobial activities NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-12-01 US disclosed
US-20140193476-A1 CHITOSAN HYDROGEL DERIVATIVES AS A COATING AGENT WITH BROAD SPECTRUM OF ANTIMICROBIAL ACTIVITIES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-07-10 US disclosed
US-8709470-B2 Chitosan hydrogel derivatives as a coating agent with broad spectrum of antimicrobial activities MENICON CO., LTD. (JP) 2014-04-29 US disclosed
US-20120164208-A1 CHITOSAN HYDROGEL DERIVATIVES AS A COATING AGENT WITH BROAD SPECTRUM OF ANTIMICROBIAL ACTIVITIES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-06-28 US disclosed
EP-2454286-A1 CHITOSAN HYDROGEL DERIVATIVES AS A COATING AGENT WITH BROAD SPECTRUM OF ANTIMICROBIAL ACTIVITIES Menicon Co., Ltd. (JP) 2012-05-23 EP disclosed
WO-2011007454-A1 CHITOSAN HYDROGEL DERIVATIVES AS A COATING AGENT WITH BROAD SPECTRUM OF ANTIMICROBIAL ACTIVITIES MENICON CO., LTD. (JP) 2011-01-20 WO disclosed
WO-2009073643-A2 NITRIC OXIDE RELEASE COATINGS INCORPORATING NITRIC OXIDE SYNTHASE ENZYME CLEVELAND STATE UNIVERSITY (US) 2009-06-11 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 (3 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-20160038636-A1 CHITOSAN HYDROGEL DERIVATIVES AS A COATING AGENT WITH BROAD SPECTRUM OF ANTIMICROBIAL ACTIVITIES ACMSD, CDC37, USP30 CHRM5 2249/4885CHRM1 2015/4885CHRM3 2791/4885
US-20140193476-A1 CHITOSAN HYDROGEL DERIVATIVES AS A COATING AGENT WITH BROAD SPECTRUM OF ANTIMICROBIAL ACTIVITIES ACMSD, CDC37, USP30 CHRM5 2249/4885CHRM1 2015/4885CHRM3 2791/4885
US-20120164208-A1 CHITOSAN HYDROGEL DERIVATIVES AS A COATING AGENT WITH BROAD SPECTRUM OF ANTIMICROBIAL ACTIVITIES CRYZ, CRYAA, USP30 CHRM5 1480/4885CHRM1 1434/4885CHRM3 1602/4885

“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.