SCHEMBL5628010

SCHEMBL5628010

CC(=O)CCC(=O)c1cc(F)ccc1OCc1ccc(F)cc1F

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.52
PTGER1 P34995 9/20 0.48
GSK3B P49841 2/20 0.43
BACE1 P56817 2/20 0.43
PPARA Q07869 1/20 0.42
MAPK14 Q16539 4/20 0.42
IDO1 P14902 1/20 0.41
AGXT P21549 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 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
SCHEMBL5628945 0.92 PTGER1 (0.52) MAOBPTGER1
SCHEMBL5627697 0.92 PTGER1 (0.52) MAOBPTGER1
SCHEMBL5627116 0.91 MAOB (0.51) MAOBPTGER1GSK3BBACE1PPARA
SCHEMBL5468595 0.90 MAOB (0.46) MAOBPTGER1IDO1
SCHEMBL6180993 0.84 PTGER1 (0.52) MAOBPTGER1MAPK14
SCHEMBL5628095 0.84 FFAR4 (0.50) MAOBMEN1ALDH1A1KMT2A
SCHEMBL5627661 0.80 PTGER1 (0.50) PTGER1
SCHEMBL6169233 0.80 MAOB (0.47) MAOBPTGER1MAPK14
SCHEMBL5629215 0.77 PTGER1 (0.45) PTGER1
SCHEMBL5627813 0.76 PTGER1 (0.46) MAOBPTGER1MEN1ALDH1A1KMT2A

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-20140274695-A1 4-AMINO-6-(HETEROCYCLIC)PICOLINATES AND 6-amino-2-(HETEROCYCLIC)pyrimidine-4-carboxylates AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2014-09-18 US disclosed
US-20070082912-A1 Pyrrole compounds for the treatment of prostaglandine mediated diseases GLAXO GROUP LIMITED (GB) 2007-04-12 US disclosed
US-20070082912-A1 Pyrrole compounds for the treatment of prostaglandine mediated diseases GLAXO GROUP LIMITED (GB) 2007-04-12 US disclosed
US-20070082912-A1 Pyrrole compounds for the treatment of prostaglandine mediated diseases GLAXO GROUP LIMITED (GB) 2007-04-12 US disclosed
EP-1509499-A1 PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2005-03-02 EP disclosed
WO-2003101959-A1 PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2003-12-11 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-20140274695-A1 4-AMINO-6-(HETEROCYCLIC)PICOLINATES AND 6-amino-2-(HETEROCYCLIC)pyrimidine-4-carboxylates AND THEIR USE AS HERBICIDES DDT, DDC, P2RX6 MAOB 1517/4885PTGER1 3868/4885GSK3B 4160/4885
US-20070082912-A1 Pyrrole compounds for the treatment of prostaglandine mediated diseases PTGER1, PTGDR, PTGIR MAOB 344/4885PTGER1 1/4885GSK3B 4634/4885

“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.