SCHEMBL2179684

SCHEMBL2179684

CC(C)(C)OC(=O)c1cccc(OCCCCCCCCCCCCCCCC(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
PPARA Q07869 1/20 0.50
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
PLA2G4B P0C869 1/20 0.48
SMPD1 P17405 3/20 0.48
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
SLC7A5 Q01650 1/20 0.46
PRSS1 P07477 2/20 0.46

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
SCHEMBL2182231 1.00 KMT2A (0.51) KMT2APPARAHDAC1HDAC2PLA2G4B
SCHEMBL2182906 1.00 KMT2A (0.51) KMT2APPARAHDAC1HDAC2PLA2G4B
SCHEMBL2183818 0.88 SMPD1 (0.49) KMT2AHDAC1HDAC2PLA2G4BSMPD1
SCHEMBL2183003 0.88 SMPD1 (0.49) KMT2AHDAC1HDAC2PLA2G4BSMPD1
SCHEMBL2925424 0.87 PLA2G2A (0.47) PPARAHDAC1HDAC2PLA2G4B
Adipic Acid SCHEMBL27893785 0.86 SLC7A5 (0.55) PPARAHDAC1HDAC2SLC7A5
SCHEMBL23754671 0.86 KMT2A (0.47) KMT2AHDAC1HDAC2SLC7A5
SCHEMBL4540684 0.84 PPARA (0.58) PPARAHDAC1HDAC2PLA2G4B
SCHEMBL20567660 0.84 PPARA (0.58) PPARAHDAC1HDAC2PLA2G4B
SCHEMBL2183439 0.84 PPARA (0.58) PPARAHDAC1HDAC2PLA2G4B

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
EP-3000482-B1 DOUBLE-ACYLATED GLP-1 DERIVATIVES NOVO NORDISK AS (DK) 2021-04-21 EP disclosed
CN-104311657-B Double acylated GLP-1 derivatives 诺沃—诺迪斯克有限公司 2020-12-08 CN disclosed
CN-111560060-A Double acylated GLP-1 derivatives 诺沃—诺迪斯克有限公司 2020-08-21 CN disclosed
CN-104327182-B Double acylated GLP-1 derivatives 诺沃—诺迪斯克有限公司 2020-04-17 CN disclosed
US-9556250-B2 Double-acylated GLP-1 derivatives NOVO NORDISK A/S (DK) 2017-01-31 US disclosed
EP-3000482-A1 DOUBLE-ACYLATED GLP-1 DERIVATIVES Novo Nordisk A/S (DK) 2016-03-30 EP disclosed
EP-2513140-B1 DOUBLE-ACYLATED GLP-1 DERIVATIVES NOVO NORDISK AS (DK) 2015-11-04 EP disclosed
US-20140179899-A1 DOUBLE-ACYLATED GLP-1 DERIVATIVES NOVO NORDISK A/S (DK) 2014-06-26 US disclosed
US-8648041-B2 Double-acylated GLP-1 derivatives NOVO NORDISK A/S (DK) 2014-02-11 US disclosed
US-20110166321-A1 DOUBLE-ACYLATED GLP-1 DERIVATIVES NOVO NORDISK A/S (DK) 2011-07-07 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 (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-20110166321-A1 DOUBLE-ACYLATED GLP-1 DERIVATIVES GLP1R, IAPP, GCG KMT2A 459/4885PPARA 658/4885HDAC1 462/4885
US-20140179899-A1 DOUBLE-ACYLATED GLP-1 DERIVATIVES GLP1R, GCG, DPP7 KMT2A 184/4885PPARA 234/4885HDAC1 360/4885

“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.