SCHEMBL3035502

SCHEMBL3035502

CCOC(=O)CCCCc1cc(-c2ccc(OC)cc2OCOCC[Si](C)(C)C)on1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.58
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
TSHR P16473 3/20 0.45
MAPT P10636 12/20 0.43
LMNA P02545 3/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 2/20 0.43
TP53 P04637 3/20 0.43
CYP2D6 P10635 2/20 0.43
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.41
XBP1 P17861 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL3048211 0.82 PTPN1 (0.54) PTPN1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL3048214 0.77 PTPN1 (0.52) PTPN1MEN1KMT2AMAPTLMNA
SCHEMBL3048817 0.72 PTPN1 (0.44) PTPN1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL3051685 0.71 CYP4F2 (0.46) PTPN1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL3048406 0.69 PTPN1 (0.52) PTPN1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL3052721 0.68 MAPT (0.42) PTPN1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL25612275 0.67 MAPT (0.45) MEN1KMT2ACYP3A4CYP2C19TSHR
SCHEMBL3039760 0.67 CYP4F2 (0.45) PTPN1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL25612368 0.67 CA12 (0.43) MEN1KMT2ACYP1A2CYP3A4MAPT
SCHEMBL25612190 0.66 CA12 (0.50) MEN1KMT2ACYP1A2CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765796-B2 Compounds, methods and formulations for the oral delivery of a glucagon-like peptide (GLP-1) compound or a melanocortin-4 receptor (MC4) agonist peptide EMISPHERE TECHNOLOGIES, INC. (US) 2014-07-01 US disclosed
US-8765796-B2 Compounds, methods and formulations for the oral delivery of a glucagon-like peptide (GLP-1) compound or a melanocortin-4 receptor (MC4) agonist peptide EMISPHERE TECHNOLOGIES, INC. (US) 2014-07-01 US disclosed
US-20140031287-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON-LIKE PEPTIDE (GLP-1) COMPOUND OR A MELANOCORTIN-4 RECEPTOR (MIC4) AGONIST PEPTIDE EMISPHERE TECHNOLOGIES, INC. (US) 2014-01-30 US disclosed
US-20140031287-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON-LIKE PEPTIDE (GLP-1) COMPOUND OR A MELANOCORTIN-4 RECEPTOR (MIC4) AGONIST PEPTIDE EMISPHERE TECHNOLOGIES, INC. (US) 2014-01-30 US disclosed
US-8552039-B2 Compounds, methods and formulations for the oral delivery of a glucagon-like peptide (GLP-1) compound or a melanocortin-4 receptor (MC4) agonist peptide EMISPHERE TECHNOLOGIES, INC. (US) 2013-10-08 US disclosed
US-8552039-B2 Compounds, methods and formulations for the oral delivery of a glucagon-like peptide (GLP-1) compound or a melanocortin-4 receptor (MC4) agonist peptide EMISPHERE TECHNOLOGIES, INC. (US) 2013-10-08 US disclosed
US-20100120876-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON-LIKE PEPTIDE (GLP-1) COMPOUND OR A MELANOCORTIN-4 RECEPTOR (MC4) AGONIST PEPTIDE EMISPHERE TECHNOLOGIES, INC. (US) 2010-05-13 US disclosed
US-20100120876-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON-LIKE PEPTIDE (GLP-1) COMPOUND OR A MELANOCORTIN-4 RECEPTOR (MC4) AGONIST PEPTIDE EMISPHERE TECHNOLOGIES, INC. (US) 2010-05-13 US disclosed
US-7662771-B2 Compounds, methods and formulations for the oral delivery of a glucagon-like peptide (GLP)-1 compound or a melanocortin-4 receptor (MC4) agonist peptide EMISPHERE TECHNOLOGIES, INC. (US) 2010-02-16 US disclosed
US-7662771-B2 Compounds, methods and formulations for the oral delivery of a glucagon-like peptide (GLP)-1 compound or a melanocortin-4 receptor (MC4) agonist peptide EMISPHERE TECHNOLOGIES, INC. (US) 2010-02-16 US disclosed
US-20080214448-A1 Compounds, Methods and Formulations for the Oral Delivery of a Glucagon-Like Peptide (Glp)-1 Compound or a Melanocortin-4 Receptor (Mc4) Agonist Peptide EMISPHERE TECHNOLOGIES INC. (US) 2008-09-04 US disclosed
US-20080214448-A1 Compounds, Methods and Formulations for the Oral Delivery of a Glucagon-Like Peptide (Glp)-1 Compound or a Melanocortin-4 Receptor (Mc4) Agonist Peptide EMISPHERE TECHNOLOGIES INC. (US) 2008-09-04 US disclosed
EP-1658273-B1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON LIKE PEPTIDE (GLP)-1 COMPOUND OR AN MELANOCORTIN 4 RECEPTOR (MC4) AGONIST PEPTIDE LILLY CO ELI (US) 2007-01-03 EP disclosed
EP-1658273-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON LIKE PEPTIDE (GLP)-1 COMPOUND OR AN MELANOCORTIN 4 RECEPTOR (MC4) AGONIST PEPTIDE ELI LILLY AND COMPANY (US) 2006-05-24 EP disclosed
WO-2005019184-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON LIKE PEPTIDE (GLP)-1 COMPOUND OR AN MELANOCORTIN 4 RECEPTOR (MC4) AGONIST PEPTIDE ELI LILLY AND COMPANY (US) 2005-03-03 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 (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-20100120876-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON-LIKE PEPTIDE (GLP-1) COMPOUND OR A MELANOCORTIN-4 RECEPTOR (MC4) AGONIST PEPTIDE MC4R, GLP1R, MC3R PTPN1 3096/4885MEN1 141/4885KMT2A 3102/4885
US-20080214448-A1 Compounds, Methods and Formulations for the Oral Delivery of a Glucagon-Like Peptide (Glp)-1 Compound or a Melanocortin-4 Receptor (Mc4) Agonist Peptide MC4R, GLP1R, MC3R PTPN1 3003/4885MEN1 136/4885KMT2A 2947/4885
US-20140031287-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON-LIKE PEPTIDE (GLP-1) COMPOUND OR A MELANOCORTIN-4 RECEPTOR (MIC4) AGONIST PEPTIDE MC4R, GLP1R, MC3R PTPN1 3578/4885MEN1 73/4885KMT2A 3613/4885

“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.