SCHEMBL5207237

SCHEMBL5207237

OCCCC(O)c1ccc2c(c1)OCCO2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.59
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
CYP3A4 P08684 4/20 0.41
CYP2D6 P10635 3/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KCNH2 Q12809 2/20 0.41
HTT P42858 2/20 0.39
PDE4A P27815 1/20 0.39
ATM Q13315 1/20 0.38
TSHR P16473 1/20 0.38
ALOX5 P09917 1/20 0.38
UGCG Q16739 3/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL3183717 0.92 AOC3 (0.60) AOC3PTGS1PTGS2CYP3A4CYP2D6
SCHEMBL5491732 0.85 AOC3 (0.65) AOC3PTGS1PTGS2CYP3A4CYP2D6
SCHEMBL22785898 0.84 AOC3 (0.64) AOC3PTGS1PTGS2CYP3A4CYP2D6
SCHEMBL22785949 0.84 AOC3 (0.64) AOC3PTGS1PTGS2CYP3A4CYP2D6
SCHEMBL6497600 0.80 PTGS1 (0.55) AOC3PTGS1PTGS2CYP3A4CYP2D6
SCHEMBL14206671 0.79 AOC3 (0.67) AOC3PTGS1PTGS2CYP3A4CYP2D6
SCHEMBL11864310 0.79 AOC3 (0.67) AOC3PTGS1PTGS2CYP3A4CYP2D6
SCHEMBL19043557 0.79 AOC3 (0.67) AOC3PTGS1PTGS2CYP3A4CYP2D6
SCHEMBL8106605 0.77 KDM4E (0.54) AOC3PTGS1PTGS2UGCGMAPT
SCHEMBL14960013 0.77 AOC3 (0.52) AOC3PTGS1PTGS2HTTUGCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 EP disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 US disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 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 (3 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 AOC3 4740/4885PTGS1 1832/4885PTGS2 3234/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 AOC3 4740/4885PTGS1 1832/4885PTGS2 3234/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 AOC3 4624/4885PTGS1 1813/4885PTGS2 3294/4885

“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.