SCHEMBL5627428

SCHEMBL5627428

COc1ccc(COc2ccc(C(F)(F)F)cc2C(=O)CCC(C)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
LRRK2 Q5S007 4/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
FFAR1 O14842 1/20 0.44
FFAR2 O15552 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
MRGPRX4 Q96LA9 2/20 0.44
PPARD Q03181 1/20 0.44
ALOX5 P09917 1/20 0.44
PSEN1 P49768 1/20 0.44
SRPK3 Q9UPE1 1/20 0.43

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
SCHEMBL5628371 0.89 LRRK2 (0.58) MAOBRXRARXRBRXRGLRRK2
SCHEMBL5465981 0.87 LRRK2 (0.55) RXRARXRBRXRGLRRK2PPARG
SCHEMBL5629550 0.83 LRRK2 (0.55) MAOBPTGDR2LRRK2MTNR1AMTNR1B
SCHEMBL5627949 0.83 MRGPRX4 (0.48) MAOBMTNR1AMTNR1BFFAR1MRGPRX4
SCHEMBL5629957 0.80 MTNR1A (0.45) MTNR1AMTNR1BFFAR1
SCHEMBL5628637 0.80 NPC1 (0.48) RXRAMTNR1AMTNR1BFFAR1
SCHEMBL5468595 0.77 MAOB (0.46) MAOBLRRK2FFAR1FFAR2FFAR4
SCHEMBL5629610 0.77 MAOA (0.53) MAOBMTNR1AMTNR1BFFAR1MRGPRX4
SCHEMBL5628095 0.76 FFAR4 (0.50) MAOBLRRK2FFAR1FFAR4
SCHEMBL6168319 0.76 CCR5 (0.42) MAOBMTNR1AMTNR1BMRGPRX4

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 MAOB 344/4885PTGDR2 5/4885RXRA 37/4885

“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.