SCHEMBL5207347

SCHEMBL5207347

O=CCCC(=O)c1ccc2c(c1)OCCO2

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.72
TSHR P16473 1/20 0.72
HPGD P15428 1/20 0.68
CTNNB1 P35222 13/20 0.66
WNT3A P56704 9/20 0.64
ALDH1A1 P00352 3/20 0.64
ATM Q13315 1/20 0.62
TP53 P04637 2/20 0.58
MAPT P10636 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
LMNA P02545 1/20 0.58
KLF5 Q13887 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
ALDH3A1 P30838 1/20 0.58
HTT P42858 1/20 0.58

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
SCHEMBL6604049 0.94 ALDH1A1 (0.74) PKMTSHRHPGDCTNNB1WNT3A
SCHEMBL19287097 0.91 PKM (0.68) PKMTSHRHPGDCTNNB1WNT3A
SCHEMBL653025 0.87 PKM (0.87) PKMTSHRHPGDCTNNB1WNT3A
SCHEMBL1443787 0.84 PKM (1.00) PKMTSHRHPGDCTNNB1WNT3A
SCHEMBL2554034 0.84 TSHR (0.67) PKMTSHRHPGDCTNNB1WNT3A
SCHEMBL6905348 0.82 ALDH1A1 (0.63) PKMTSHRHPGDCTNNB1WNT3A
SCHEMBL22638726 0.81 CTNNB1 (0.72) PKMTSHRHPGDCTNNB1WNT3A
SCHEMBL20827392 0.81 HPGD (1.00) PKMTSHRHPGDCTNNB1WNT3A
SCHEMBL22638740 0.81 HPGD (0.71) PKMTSHRHPGDCTNNB1WNT3A
SCHEMBL652627 0.79 CTNNB1 (0.77) PKMTSHRHPGDCTNNB1WNT3A

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
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
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 (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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 PKM 956/4885TSHR 723/4885HPGD 2504/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 PKM 956/4885TSHR 723/4885HPGD 2504/4885

“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.