SCHEMBL2801933

SCHEMBL2801933

C#CCOc1ccc(C(C)=O)cc1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.44
MAOA P21397 1/20 0.44
HTR2A P28223 1/20 0.44
CREBBP Q92793 5/20 0.44
CYP2B6 P20813 1/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
MDH1 P40925 1/20 0.43
MDH2 P40926 1/20 0.43
PDE4B Q07343 1/20 0.43
TDP1 Q9NUW8 1/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC8 Q9BY41 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
SCHEMBL2801449 0.86 AKR1C3 (0.48) MAOBHTR2ACREBBPAKR1C3AKR1C2
SCHEMBL7160525 0.82 CREBBP (0.61) CREBBPTDP1HDAC1HDAC6ALDH1A1
SCHEMBL8160004 0.82 MAOB (0.52) MAOBMAOAHTR2ACYP2B6MDH1
SCHEMBL15273702 0.82 MAOA (0.45) MAOBMAOAHTR2ACYP2B6MDH1
SCHEMBL4640374 0.82 MAOA (0.45) MAOBMAOAHTR2ACYP2B6MDH1
SCHEMBL14027049 0.82 HPGD (0.50) MAOBMAOAHTR2ACYP2B6MDH1
SCHEMBL12799701 0.81 MAOB (0.63) MAOBCYP2B6PDE4BMEN1ALDH1A1
SCHEMBL8481868 0.81 CREBBP (0.47) CREBBPAKR1C3AKR1C2TDP1HDAC1
SCHEMBL2804548 0.80 PDE4B (0.40) MAOBHTR2ACREBBPCYP2B6AKR1C3
SCHEMBL14648692 0.80 KDM4E (0.50) MAOBMAOACYP2B6MDH1MDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105617-A1 C-Terminal Attachment of Two Chemical Groups to Peptides NOVO NORDISK HEALTH CARE AG (CH) 2010-04-29 US disclosed
US-20100105617-A1 C-Terminal Attachment of Two Chemical Groups to Peptides NOVO NORDISK HEALTH CARE AG (CH) 2010-04-29 US disclosed
US-20100105617-A1 C-Terminal Attachment of Two Chemical Groups to Peptides NOVO NORDISK HEALTH CARE AG (CH) 2010-04-29 US disclosed
EP-2121725-A1 C-TERMINAL ATTACHMENT OF TWO CHEMICAL GROUPS TO PEPTIDES Novo Nordisk Health Care AG (CH) 2009-11-25 EP disclosed
WO-2008098958-A1 C-TERMINAL ATTACHMENT OF TWO CHEMICAL GROUPS TO PEPTIDES NOVO NORDISK HEALTH CARE AG (DK) 2008-08-21 WO disclosed
WO-2008098958-A1 C-TERMINAL ATTACHMENT OF TWO CHEMICAL GROUPS TO PEPTIDES NOVO NORDISK HEALTH CARE AG (DK) 2008-08-21 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 (1 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-20100105617-A1 C-Terminal Attachment of Two Chemical Groups to Peptides PTMS, DNPEP, VIP MAOB 1932/4885MAOA 2137/4885HTR2A 2956/4885

“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.