SCHEMBL13404201

SCHEMBL13404201

CC(=O)OC1(C(C)(C)C)COC(C)(C)OC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNA4 P22459 1/20 0.31
KCNA1 Q09470 1/20 0.31
KCNAB1 Q14722 1/20 0.31

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
SCHEMBL12306264 0.76 ALDH1A1 (0.30)
SCHEMBL12306263 0.72
SCHEMBL12306261 0.72
SCHEMBL156352 0.71
SCHEMBL13447356 0.68 KCNA4 (0.31) KCNA4KCNA1KCNAB1
SCHEMBL7399717 0.67
SCHEMBL2891477 0.67
SCHEMBL7733528 0.64 KCNA4 (0.37) KCNA4KCNA1KCNAB1
SCHEMBL5590449 0.64 KCNA4 (0.33) KCNA4KCNA1KCNAB1
SCHEMBL1970312 0.63 KCNA4 (0.39) KCNA4KCNA1KCNAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7704988-B2 Anti-hypercholesterolemic compounds MERCK & CO., INC. (US) 2010-04-27 US disclosed
US-20100069347-A1 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS MERCK SHARP & DOHME CORP. 2010-03-18 US disclosed
US-20100035857-A1 ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS MERCK SHARP & DOHME CORP. 2010-02-11 US disclosed
US-20090137546-A1 Anti-Hypercholesterolemic Compounds MERCK SHARP & DOHME CORP. 2009-05-28 US disclosed
US-20070078098-A1 Anti-hypercholesterolemic compounds MERCK SHARP & DOHME CORP. 2007-04-05 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 (4 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-20090137546-A1 Anti-Hypercholesterolemic Compounds CETP, HMGCR, PCSK9 KCNA4 2688/4885KCNA1 2778/4885KCNAB1 1595/4885
US-20100069347-A1 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS LDLR, PCSK9, CYP46A1 KCNA4 3346/4885KCNA1 2244/4885KCNAB1 1942/4885
US-20100035857-A1 ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS NPC1L1, HMGCR, PCSK9 KCNA4 2656/4885KCNA1 2693/4885KCNAB1 1689/4885
US-20070078098-A1 Anti-hypercholesterolemic compounds CETP, HMGCR, PCSK9 KCNA4 2688/4885KCNA1 2778/4885KCNAB1 1595/4885

“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.