SCHEMBL557940

SCHEMBL557940

CC(C)(C)OC(=O)c1ccc(SCCCCCCCCCCC(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
PTGS2 P35354 1/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC2 Q92769 4/20 0.43
HDAC3 O15379 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 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
SCHEMBL557689 1.00 ALDH1A1 (0.49) ALDH1A1THRATHRBPTGS2HDAC1
SCHEMBL2820863 0.93 ALDH1A1 (0.43) ALDH1A1THRATHRBPTGS2HDAC1
SCHEMBL558168 0.87 HDAC1 (0.42) ALDH1A1THRATHRBHDAC1HDAC2
SCHEMBL557373 0.87 HDAC1 (0.42) ALDH1A1THRATHRBHDAC1HDAC2
SCHEMBL2820872 0.85 PLA2G4B (0.42) ALDH1A1THRATHRBHDAC1HDAC2
SCHEMBL557604 0.83 HDAC1 (0.42) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL4538607 0.81 PPARA (0.58) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL20567660 0.81 PPARA (0.58) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL1745096 0.81 PPARA (0.58) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL26091641 0.81 PPARA (0.58) HDAC1HDAC2HDAC3HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46170-E1 Insulin derivatives NOVO NORDISK A/S (DK) 2016-10-04 US disclosed
EP-2256130-B1 Novel insulin derivatives NOVO NORDISK AS (DK) 2013-09-25 EP disclosed
US-8476228-B2 Insulin derivatives NOVO NORDISK A/S (DK) 2013-07-02 US disclosed
EP-1846446-B1 INSULIN DERIVATIVES NOVO NORDISK AS (DK) 2013-06-26 EP disclosed
US-20120035104-A1 Insulin derivatives NOVO NORDISK A/S (DK) 2012-02-09 US disclosed
US-8067362-B2 Antidiabetic agents; genetic engineered polypeptide; having a side chain attached alpha -amino group of the N-terminal amino acid of the B chain via an amide bond, with free carboxylic acid group, a fatty acid; soluble at physiological pH, prolonged profile of action; hypoglycemic agents NOVO NORDISK AS (DK) 2011-11-29 US disclosed
EP-2256130-A1 Novel insulin derivatives Novo Nordisk A/S (DK) 2010-12-01 EP disclosed
US-20080076705-A1 Insulin Derivatives NOVO NORDISK A/S (DK) 2008-03-27 US disclosed
EP-1846446-A1 INSULIN DERIVATIVES NOVO NORDISK A/S (DK) 2007-10-24 EP disclosed
WO-2006082204-A1 INSULIN DERIVATIVES NOVO NORDISK A/S (DK) 2006-08-10 WO 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 (2 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-20120035104-A1 Insulin derivatives IAPP, INSR, GPR119 ALDH1A1 4358/4885THRA 184/4885THRB 56/4885
US-20080076705-A1 Insulin Derivatives IAPP, INSR, GPR119 ALDH1A1 4511/4885THRA 318/4885THRB 89/4885

“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.