SCHEMBL3759824

SCHEMBL3759824

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.46
ACE2 Q9BYF1 2/20 0.46
ABCG2 Q9UNQ0 6/20 0.45
ACHE P22303 1/20 0.45
NPC1 O15118 1/20 0.44
MAOA P21397 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PPARG P37231 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 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
SCHEMBL3718620 0.97 ABCG2 (0.46) MAOBACE2ABCG2ACHENPC1
SCHEMBL3723524 0.91 TP53 (0.53) ACE2ABCG2MAPTTP53RXFP1
SCHEMBL13056304 0.90 ACE2 (0.48) MAOBACE2ABCG2ACHENPC1
SCHEMBL3724874 0.89 TP53 (0.52) ACE2ABCG2MAPTTP53RXFP1
SCHEMBL4150944 0.88 MAOB (0.51) MAOBACE2ABCG2ACHENPC1
SCHEMBL13056293 0.88 ACE2 (0.47) MAOBACE2ABCG2ACHENPC1
SCHEMBL4153233 0.85 ABCG2 (0.63) MAOBABCG2ACHENPC1MAOA
SCHEMBL119974 0.85 ACE2 (0.60) ACE2ABCG2MAPTPPARGABCB1
SCHEMBL13056287 0.85 ACE2 (0.47) MAOBACE2ABCG2ACHENPC1
SCHEMBL7548319 0.85 MAOB (0.48) MAOBACE2ABCG2ACHENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100297020-A1 PHOSPHORYLATED AND PHOSPHONATED PYRONE ANALOGS FOR THERAPEUTIC TREATMENT LIMERICK BIOPHARMA, INC. (US) 2010-11-25 US 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 3022/4885ACE2 2786/4885ABCG2 1086/4885

“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.