SCHEMBL1131865

SCHEMBL1131865

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.35
ACLY P53396 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
LMNA P02545 1/20 0.30
TP53 P04637 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
SCHEMBL28552427 0.81 ACACB (0.41) ACACBACACATSHRALDH1A1ACLY
SCHEMBL29262309 0.80
SCHEMBL301722 0.79 ACACB (0.40) ACACBACACATSHRALDH1A1ACLY
SCHEMBL28065497 0.77 ACACB (0.39) ACACBACACATSHRALDH1A1ACLY
SCHEMBL28065512 0.77 ACACB (0.39) ACACBACACATSHRALDH1A1ACLY
SCHEMBL17299152 0.75 FDPS (0.41) ACACBACACATSHRALDH1A1ACLY
SCHEMBL7698226 0.75 ACACB (0.42) ACACBACACATSHRALDH1A1ACLY
SCHEMBL9710109 0.75 ACACB (0.38) ACACBACACATSHRALDH1A1ACLY
SCHEMBL9688268 0.75 ACACB (0.38) ACACBACACATSHRALDH1A1ACLY
SCHEMBL11129258 0.75 ACACB (0.38) ACACBACACATSHRALDH1A1ACLY

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0087680-B1 CRYSTALLINE DIASTEREOMERIC L-ALPHA-METHYLDOPA POE ESTER MERCK & CO. INC. (US) 1985-11-21 EP claimed
US-4440942-A Crystalline diastereomeric L-alpha-methyldopa POE ester and process for its preparation MERCK & CO., INC. (US) 1984-04-03 US claimed
EP-0087680-A1 Crystalline diastereomeric L-alpha-methyldopa POE ester MERCK & CO. INC. (US) 1983-09-07 EP claimed
EP-1812381-B1 ETHYLENICALLY UNSATURATED GROUP-CONTAINING ISOCYANATE COMPOUND AND PROCESS FOR PRODUCING THE SAME, AND REACTIVE MONOMER, REACTIVE (METH)ACRYLATE POLYMER AND ITS USE SHOWA DENKO KK (JP) 2011-02-16 EP disclosed
US-7579066-B2 Ethylenically unsaturated group-containing isocyanate compound and process for producing the same, and reactive monomer, reactive (meth) acrylate polymer and its use SHOWA DENKO K.K. (JP) 2009-08-25 US disclosed
US-20080132597-A1 Ethylenically Unsaturated Group-Containing Isocyanate Compound and Process for Producing the Same, and Reactive Monomer, Reactive (Meth) Acrylate Polymer and its Use RESONAC CORPORATION (JP) 2008-06-05 US disclosed
US-5354549-A Iodinated esters NYCOMED IMAGING AS (NO) 1994-10-11 US disclosed
EP-0300828-B1 IODINATED ESTERS NYCOMED AS (NO) 1992-03-18 EP disclosed
US-4914222-A DISSOLVING ESTER IN NONPOLAR WATER-IMMISCIBLE SOLVENT, ADDING HYDROXYLATED SOLVENT AND OXYGENATED ACID, CRYSTALLIZING SALT MERCK & CO., INC. (US) 1990-04-03 US disclosed
WO-1989000988-A1 IODINATED ESTERS NYCOMED AS (NO) 1989-02-09 WO disclosed
EP-0300828-A1 Iodinated esters NYCOMED AS (NO) 1989-01-25 EP disclosed
EP-0030734-A1 Tyrosine derivatives, a process for preparing the same and a pharmaceutical composition containing the same for treating hypertension MERCK & CO. INC. (US) 1981-06-24 EP disclosed
US-4254273-A INTERMEDIATES FOR HYPOTENSIVE AGENTS MERCK & CO., INC. (US) 1981-03-03 US disclosed
US-4198413-A HYPOTENSIVE AGENTS MERCK & CO., INC. (US) 1980-04-15 US disclosed
US-4143146-A HYPOTENSIVE AGENTS MERCK & CO., INC. (US) 1979-03-06 US disclosed
US-4058530-A PHENYLALANINE, ANTIHYPERTENSIVE MERCK & CO., INC. (US) 1977-11-15 US disclosed
US-4051169-A HYPOTENSIVE AGENTS MERCK & CO., INC. (US) 1977-09-27 US disclosed
US-4038411-A ANTIHYPERTENSIVE AMINO ACID ESTERS MERCK & CO., INC. (US) 1977-07-26 US disclosed
US-3988341-A Esterification process MERCK & CO., INC. (US) 1976-10-26 US disclosed
US-3983138-A HYPOTENSIVES MERCK & CO., INC. (US) 1976-09-28 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-20080132597-A1 Ethylenically Unsaturated Group-Containing Isocyanate Compound and Process for Producing the Same, and Reactive Monomer, Reactive (Meth) Acrylate Polymer and its Use ACAD9, ELOVL6, ELOVL5 ACACB 209/4885ACACA 168/4885TSHR 4731/4885

“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.