SCHEMBL5796159

SCHEMBL5796159

CC(=O)OCCC(C)(C)C(=O)Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
PGR P06401 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
HTR1A P08908 1/20 0.40
CHRNB2 P17787 1/20 0.40
TBXA2R P21731 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRNA10 Q9GZZ6 1/20 0.40
CHRNA9 Q9UGM1 1/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 2/20 0.39
GALR3 O60755 2/20 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
SCHEMBL9837626 0.88 ALDH1A1 (0.48) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL292372 0.80 ALDH1A1 (0.43) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL1267156 0.77 ALDH1A1 (0.40) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL4229823 0.77 ALDH1A1 (0.48) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL71658 0.75 ALDH1A1 (0.46) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL2625 0.75 ALDH1A1 (0.46) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL4696007 0.73 ALDH1A1 (0.44) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL2517291 0.73 ALDH1A1 (0.44) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL1981927 0.73 ALDH1A1 (0.44) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL13034084 0.73 ALDH1A1 (0.44) ALDH1A1CHRM5CHRM1CHRM3PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006042200-A2 METHOD FOR SYNTHESIS OF BETA-GLUCANS EAST TENNESSEE STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-04-20 WO claimed
US-20060084630-A1 Method for synthesis of beta glucans ENSLEY HARRY E 2006-04-20 US claimed
WO-2006042200-A3 METHOD FOR SYNTHESIS OF BETA-GLUCANS UNIV TENNESSEE EAST (US) 2006-06-08 WO disclosed
WO-2006042200-A2 METHOD FOR SYNTHESIS OF BETA-GLUCANS EAST TENNESSEE STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-04-20 WO disclosed
WO-2006042200-A2 METHOD FOR SYNTHESIS OF BETA-GLUCANS EAST TENNESSEE STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-04-20 WO disclosed
US-20060084630-A1 Method for synthesis of beta glucans ENSLEY HARRY E 2006-04-20 US disclosed
US-20060084630-A1 Method for synthesis of beta glucans ENSLEY HARRY E 2006-04-20 US disclosed
EP-0287340-B1 NOVEL ACYLATION PROCESS FOR THE SYNTHESIS OF HMG-COA REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1993-09-29 EP disclosed
EP-0211416-B1 NOVEL HMG-COA REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1991-10-16 EP disclosed
US-4851436-A ANTICHOLESTEROL AND ANTILIPEMIC AGENTS MERCK & CO., INC. (US) 1989-07-25 US disclosed
US-4845237-A ANTIHYPERCHOLESTEROLEMIC COMPOUNDS MERCK & CO., INC. (US) 1989-07-04 US disclosed
EP-0287340-A2 Novel acylation process for the synthesis of HMG-COA reductase inhibitors MERCK & CO. INC. (US) 1988-10-19 EP disclosed
US-4668699-A 6-(NAPHTHYLETHYL)TETRAHYDROPYRAN-2-ONES; ANTILIPEMIC, ANTICHOLESTEROL MERCK & CO., INC. (US) 1987-05-26 US disclosed
US-4665091-A 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, ANTICHOLESTEROL MERCK & CO., INC. (US) 1987-05-12 US disclosed
EP-0211416-A2 Novel HMG-CoA reductase inhibitors MERCK & CO. INC. (US) 1987-02-25 EP 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-20060084630-A1 Method for synthesis of beta glucans DDOST, DAD1, STT3B ALDH1A1 2580/4885CHRM5 2640/4885CHRM1 3331/4885

“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.