SCHEMBL5629610

SCHEMBL5629610

COc1ccc(COc2cc(Cl)ccc2C(=O)CCC(C)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.53
MAOB P27338 4/20 0.53
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
MRGPRX4 Q96LA9 3/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
RAB9A P51151 3/20 0.44
FFAR1 O14842 1/20 0.44
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL5627949 0.92 MRGPRX4 (0.48) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL6193635 0.88 MAOB (0.51) MAOAMAOBKMT2AMAPTMRGPRX4
SCHEMBL6168319 0.84 CCR5 (0.42) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL5628637 0.84 NPC1 (0.48) MAPTPOLBKDM4ELMNAGAA
SCHEMBL5629550 0.80 LRRK2 (0.55) MAOAMAOBPOLBMTNR1AMTNR1B
SCHEMBL5474984 0.78 CCR5 (0.53) MAOAMAOBMRGPRX4
SCHEMBL5465872 0.78 PTGER1 (0.57) KMT2AMRGPRX4
SCHEMBL5629601 0.77 ALDH1A1 (0.47) MAOBMEN1KMT2AMAPTPOLB
SCHEMBL6191662 0.77 MAOB (0.45) MAOAMAOBMAPTPOLBMRGPRX4
SCHEMBL6185410 0.77 MAOB (0.58) MAOAMAOBMEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20070082912-A1 Pyrrole compounds for the treatment of prostaglandine mediated diseases PTGER1, PTGDR, PTGIR MAOA 1395/4885MAOB 344/4885MEN1 1556/4885

“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.