SCHEMBL117674

SCHEMBL117674

O=c1c(OCc2ccccc2)c(-c2ccc(OCc3ccccc3)c(O)c2)oc2cc(OCc3ccccc3)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.50
PPARG P37231 1/20 0.49
ACHE P22303 1/20 0.49
NPC1 O15118 1/20 0.48
MAOA P21397 1/20 0.48
CASP3 P42574 1/20 0.48
RAB9A P51151 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ABCG2 Q9UNQ0 5/20 0.48
ACE2 Q9BYF1 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ABCB1 P08183 1/20 0.47
ABCC1 P33527 1/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47

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
SCHEMBL169717 0.91 KDM4E (0.52) MAOBPPARGABCG2TUBB4ATUBB
SCHEMBL118391 0.89 ADORA3 (0.61) PPARGABCG2ACE2ADORA3ABCB1
SCHEMBL29410971 0.89 ADORA3 (0.61) PPARGABCG2ACE2ADORA3ABCB1
SCHEMBL20169801 0.87 ABCG2 (0.59) MAOBPPARGACHENPC1MAOA
SCHEMBL4150944 0.86 MAOB (0.51) MAOBPPARGACHENPC1MAOA
SCHEMBL7940149 0.86 PPARG (0.62) PPARGABCG2ACE2ADORA3ABCB1
SCHEMBL31031156 0.85 AR (0.59) MAOBPPARGACHEABCG2
SCHEMBL3718620 0.85 ABCG2 (0.46) MAOBPPARGACHENPC1MAOA
SCHEMBL4153233 0.84 ABCG2 (0.63) MAOBPPARGACHENPC1MAOA
SCHEMBL3759824 0.84 MAOB (0.46) MAOBPPARGACHENPC1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424541-A2 PHOSPHORYLATED AND PHOSPHONATED PYRONE ANALOGS FOR THERAPEUTIC TREATMENT Limerick BioPharma, Inc. (US) 2012-03-07 EP disclosed
US-20100297020-A1 PHOSPHORYLATED AND PHOSPHONATED PYRONE ANALOGS FOR THERAPEUTIC TREATMENT LIMERICK BIOPHARMA, INC. (US) 2010-11-25 US disclosed
US-20100297020-A1 PHOSPHORYLATED AND PHOSPHONATED PYRONE ANALOGS FOR THERAPEUTIC TREATMENT LIMERICK BIOPHARMA, INC. (US) 2010-11-25 US disclosed
WO-2010129138-A2 PHOSPHORYLATED AND PHOSPHONATED PYRONE ANALOGS FOR THERAPEUTIC TREATMENT LIMERICK BIOPHARMA (US) 2010-11-11 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-20100297020-A1 PHOSPHORYLATED AND PHOSPHONATED PYRONE ANALOGS FOR THERAPEUTIC TREATMENT PC, PCK1, PYGL MAOB 3022/4885PPARG 209/4885ACHE 4317/4885

“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.