SCHEMBL5499192

SCHEMBL5499192

CCOC(=O)C[C@H](O)C[C@H](O)/C=C/c1c(C)cc(C)cc1-c1ccc(F)c(C)c1

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 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
SCHEMBL5499193 1.00 HMGCR (0.39) HMGCR
SCHEMBL9490916 0.89
SCHEMBL9490911 0.89
SCHEMBL10361224 0.88
SCHEMBL8160496 0.88
SCHEMBL10361225 0.88
SCHEMBL8160494 0.88
SCHEMBL9493665 0.88
SCHEMBL10830665 0.88 HMGCR (0.35) HMGCR
SCHEMBL10830664 0.88 HMGCR (0.35) HMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4567289-A ANTICHOLESTEROL ANTILIPEMIC MERCK & CO., INC. (US) 1986-01-28 US claimed
US-7232915-B2 Process for the synthesis of 1,3-diols WARNER-LAMBERT COMPANY (US) 2007-06-19 US disclosed
EP-1054860-B1 PROCESS FOR THE SYNTHESIS OF 1,3-DIOLS PFIZER IRELAND PHARMACEUTICALS (IE) 2007-04-25 EP disclosed
US-6962994-B2 Process for the synthesis of 1,3-diols WARNER-LAMBERT COMPANY, LLC (US) 2005-11-08 US disclosed
US-20050197500-A1 Process for the synthesis of 1,3-diols BOSCH ROBERT L (US) 2005-09-08 US disclosed
US-20040006231-A1 Process for the synthesis of 1,3-diols BOSCH ROBERT LEE (US) 2004-01-08 US disclosed
US-6596879-B2 Beta hydroxy ketone treated with trialkylborane or dialkylalkoxyborane followed by recovery and reuse of alkylborane WARNER-LAMBERT COMPANY 2003-07-22 US disclosed
US-20020161021-A1 Process for the synthesis of 1,3-diols BOSCH ROBERT LEE (US) 2002-10-31 US disclosed
US-6433213-B1 REDUCTION USING BORON COMPOUND WARNER-LAMBERT COMPANY 2002-08-13 US disclosed
EP-0259087-B1 PRODRUGS OF ANTIHYPERCHOLESTEROLEMIC COMPOUNDS MERCK & CO. INC. (US) 1993-04-07 EP disclosed
US-4943588-A ENZYME INHIBITORS MERCK & CO., INC. (US) 1990-07-24 US disclosed
US-4837205-A 1,3-DIOXANE DERIVATIVES MERCK & CO., INC. (US) 1989-06-06 US disclosed
US-4567289-A ANTICHOLESTEROL ANTILIPEMIC MERCK & CO., INC. (US) 1986-01-28 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 (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-20050197500-A1 Process for the synthesis of 1,3-diols HSD17B7, HSD11B1, BCKDK HMGCR 160/4885
US-20020161021-A1 Process for the synthesis of 1,3-diols HSD17B7, HSD11B1, BCKDK HMGCR 160/4885
US-20040006231-A1 Process for the synthesis of 1,3-diols HSD17B7, HSD11B1, BCKDK HMGCR 160/4885

“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.