SCHEMBL4398931

SCHEMBL4398931

C#CCOc1cccc(C(=O)OCC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
GMPS P49915 1/20 0.47
F2 P00734 1/20 0.46
F10 P00742 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45

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
SCHEMBL30180651 0.85 MRGPRX4 (0.52) L3MBTL1KMT2AMEN1POLBNPC1
SCHEMBL1339773 0.85 MRGPRX4 (0.52) L3MBTL1KMT2AMEN1POLBNPC1
SCHEMBL1989713 0.85 KMT2A (0.62) TDP1L3MBTL1KMT2AMEN1POLB
SCHEMBL4592147 0.82 CA12 (0.54) TDP1L3MBTL1KMT2AMEN1MAPT
SCHEMBL9154356 0.82 MAOB (0.59) KMT2AMEN1SMN1; SMN2GMPS
SCHEMBL4506029 0.81 L3MBTL1 (0.60) TDP1L3MBTL1KMT2AMEN1POLB
SCHEMBL931897 0.81 KMT2A (0.69) TDP1L3MBTL1KMT2AMEN1POLB
SCHEMBL4398914 0.80 NR4A2 (0.59) KMT2ANPC1RAB9AGMPS
SCHEMBL30180733 0.80 NR4A2 (0.59) KMT2ANPC1RAB9AGMPS
SCHEMBL4496546 0.79 LMNA (0.58) TDP1L3MBTL1KMT2AMEN1POLB

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-1986694-B1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS NOVO NORDISK HEALTHCARE AG (CH) 2015-06-10 EP disclosed
EP-1986694-B1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS NOVO NORDISK HEALTHCARE AG (CH) 2015-06-10 EP disclosed
US-20140045753-A1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS NOVO NORDISK HEALTH CARE AG (CH) 2014-02-13 US disclosed
US-20140045753-A1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS NOVO NORDISK HEALTH CARE AG (CH) 2014-02-13 US disclosed
US-20140045753-A1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS NOVO NORDISK HEALTH CARE AG (CH) 2014-02-13 US disclosed
US-20090082254-A1 Coupling of Polypeptides at the C-Terminus NOVO NORDISK A/S (DK) 2009-03-26 US disclosed
US-20090082254-A1 Coupling of Polypeptides at the C-Terminus NOVO NORDISK A/S (DK) 2009-03-26 US disclosed
US-20090082254-A1 Coupling of Polypeptides at the C-Terminus NOVO NORDISK A/S (DK) 2009-03-26 US disclosed
EP-1986694-A1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS Novo Nordisk A/S (DK) 2008-11-05 EP disclosed
WO-2007093594-A1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS NOVO NORDISK HEALTH CARE AG (DK) 2007-08-23 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-20090082254-A1 Coupling of Polypeptides at the C-Terminus PTMS, VIP, LNPEP TDP1 3357/4885L3MBTL1 2929/4885KMT2A 4852/4885
US-20140045753-A1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS PTMS, VIP, LNPEP TDP1 3357/4885L3MBTL1 2929/4885KMT2A 4852/4885

“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.