SCHEMBL2183003

SCHEMBL2183003

COC(=O)CCCCCCCCCOc1cccc(C(=O)OC(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.49
KMT2A Q03164 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
PRSS1 P07477 2/20 0.44
CNR2 P34972 2/20 0.44
PLA2G4B P0C869 1/20 0.44
CNR1 P21554 1/20 0.44
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
P2RY12 Q9H244 1/20 0.43

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
SCHEMBL2183818 1.00 SMPD1 (0.49) SMPD1KMT2ATHRATHRBALDH1A1
SCHEMBL2179684 0.88 KMT2A (0.51) SMPD1KMT2ATHRATHRBHDAC1
SCHEMBL2182231 0.88 KMT2A (0.51) SMPD1KMT2ATHRATHRBHDAC1
SCHEMBL2182906 0.88 KMT2A (0.51) SMPD1KMT2ATHRATHRBHDAC1
SCHEMBL2921102 0.87 PDE3B (0.41) ALDH1A1CNR2CNR1PDE3BPDE3A
SCHEMBL15110547 0.85 ALDH1A1 (0.55) SMPD1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL558993 0.85 MAPT (0.53) HDAC1HDAC2
SCHEMBL1743906 0.85 MAPT (0.53) HDAC1HDAC2
SCHEMBL26092045 0.85 MAPT (0.53) HDAC1HDAC2
SCHEMBL203967 0.82 PARP1 (0.55) SMPD1KMT2ATHRATHRBPRSS1

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 SMPD1 1869/4885KMT2A 459/4885THRA 593/4885
US-20140179899-A1 DOUBLE-ACYLATED GLP-1 DERIVATIVES GLP1R, GCG, DPP7 SMPD1 2153/4885KMT2A 184/4885THRA 396/4885

“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.