SCHEMBL2622266

SCHEMBL2622266

CCC1COCCOCCOCCOCCO1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.54
CHRM3 P20309 3/20 0.54
CHRM4 P08173 2/20 0.54
CHRM5 P08912 2/20 0.54
CHRM1 P11229 1/20 0.38
EPHX1 P07099 1/20 0.32
HTR5A P47898 1/20 0.32
ALDH1A1 P00352 4/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TTR P02766 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
THRB P10828 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
USP2 O75604 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
SCHEMBL823084 1.00 CHRM2 (0.54) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL15401071 1.00 CHRM2 (0.54) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL18101285 1.00 CHRM2 (0.54) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL17381488 0.97
SCHEMBL1558122 0.97
SCHEMBL12766740 0.97
Water SCHEMBL25425578 0.95
Methyl Alcohol SCHEMBL20875601 0.93 CHRM2 (0.52) CHRM2CHRM3CHRM4CHRM5CHRM1
Acetic Acid SCHEMBL29088223 0.85 CHRM2 (0.46) CHRM2CHRM3CHRM4CHRM5CHRM1
Oxirane SCHEMBL2543131 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210220339-A1 RAPAMYCIN ANALOGS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2021-07-22 US disclosed
EP-2684881-B1 FLUORESCENCE COMPOUND, ION CONCENTRATION SENSOR INCLUDING THE COMPOUND, REAGENT INCLUDING COMPOUND, REAGENT KIT PROVIDED WITH REAGENT, AND METHOD FOR SYNTHESIZING COMPOUND UNIV HOKKAIDO NAT UNIV CORP (JP) 2018-11-28 EP disclosed
WO-2016046048-A1 PROCESS FOR REDUCING THE PERMEABILITY TO WATER OF A THIEF ZONE OF A SUBTERRANEAN HYDROCARBON RESERVOIR BP EXPLORATION OPERATING COMPANY LIMITED (GB) 2016-03-31 WO disclosed
US-9222016-B2 Compound having fluorescent chromophore, ion concentration sensor including compound, reagent including compound, reagent kit provided with reagent, precursor of compound, and method for synthesizing compound NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2015-12-29 US disclosed
EP-2684881-A1 COMPOUND HAVING FLUORESCENT CHROMOPHORE, ION CONCENTRATION SENSOR INCLUDING COMPOUND, REAGENT INCLUDING COMPOUND, REAGENT KIT PROVIDED WITH REAGENT, PRECURSOR OF COMPOUND, AND METHOD FOR SYNTHESIZING COMPOUND National University Corporation Hokkaido University (JP) 2014-01-15 EP disclosed
US-20140005410-A1 Compound Having Fluorescent Chromophore, Ion Concentration Sensor Including Compound, Reagent Including Compound, Reagent Kit Provided with Reagent, Precursor of Compound, and Method for Synthesizing Compound NATIONAL UNIVERSITY CORPORATION, HOKKAIDO UNIVERSITY (JP) 2014-01-02 US disclosed
US-20120129793-A1 Antimicrobial Polyether and Polyol Compounds NOVABAY PHARMACEUTICALS, INC. 2012-05-24 US disclosed
US-8163805-B2 Small molecule antagonists of Bcl-2 family proteins THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-24 US disclosed
US-8163805-B2 Small molecule antagonists of Bcl-2 family proteins THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-24 US disclosed
US-20100069344-A1 SMALL MOLECULE ANTAGONISTS OF BCL2 FAMILY PROTEINS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-03-18 US disclosed
US-20100069344-A1 SMALL MOLECULE ANTAGONISTS OF BCL2 FAMILY PROTEINS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-03-18 US disclosed
US-20090092684-A1 SMALL MOLECULE ANTAGONISTS OF BCL-2 FAMILY PROTEINS GEORGETOWN UNIVERSITY 2009-04-09 US disclosed
US-20090092684-A1 SMALL MOLECULE ANTAGONISTS OF BCL-2 FAMILY PROTEINS GEORGETOWN UNIVERSITY 2009-04-09 US disclosed
US-20090082424-A1 SMALL MOLECULE ANTAGONISTS OF BCL-2 FAMILY PROTEINS REGENTS OF THE UNIVERSITY OF MICHIGAN, THE 2009-03-26 US disclosed
US-20090082424-A1 SMALL MOLECULE ANTAGONISTS OF BCL-2 FAMILY PROTEINS REGENTS OF THE UNIVERSITY OF MICHIGAN, THE 2009-03-26 US disclosed
US-7432304-B2 Small molecule antagonists of Bcl-2 family proteins THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-10-07 US disclosed
US-7432304-B2 Small molecule antagonists of Bcl-2 family proteins THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-10-07 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 (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-20210220339-A1 RAPAMYCIN ANALOGS AND USES THEREOF RICTOR, MTOR, RPTOR CHRM2 4885/4885CHRM3 4875/4885CHRM4 4876/4885
US-20090092684-A1 SMALL MOLECULE ANTAGONISTS OF BCL-2 FAMILY PROTEINS BCL2, BCL2L1, BCL2L2 CHRM2 4440/4885CHRM3 4795/4885CHRM4 4870/4885
US-20100069344-A1 SMALL MOLECULE ANTAGONISTS OF BCL2 FAMILY PROTEINS BCL2L1, BCL2, BCL2L11 CHRM2 4485/4885CHRM3 4764/4885CHRM4 4871/4885
US-20120129793-A1 Antimicrobial Polyether and Polyol Compounds POLR1C, DPM1, PRF1 CHRM2 4853/4885CHRM3 4790/4885CHRM4 4859/4885
US-20090082424-A1 SMALL MOLECULE ANTAGONISTS OF BCL-2 FAMILY PROTEINS BCL2, BCL2L1, BCL2L2 CHRM2 4440/4885CHRM3 4795/4885CHRM4 4870/4885

“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.