SCHEMBL3757171

SCHEMBL3757171

O=c1c(OCc2ccccc2)c(-c2ccc(OCP(=O)(O)O)cc2)oc2cc(OCc3ccccc3)cc(O)c12

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.59
PPARG P37231 1/20 0.54
ABCB1 P08183 2/20 0.52
MAPT P10636 1/20 0.52
ACE2 Q9BYF1 2/20 0.49
ABCG2 Q9UNQ0 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CREB1 P16220 1/20 0.45
POLH Q9Y253 1/20 0.45

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
SCHEMBL119974 0.89 ACE2 (0.60) ADORA3PPARGABCB1MAPTACE2
SCHEMBL3811896 0.89 ADORA3 (0.57) ADORA3PPARGABCB1MAPTACE2
SCHEMBL13056300 0.88 ADORA3 (0.62) ADORA3PPARGABCB1MAPTACE2
SCHEMBL117535 0.88 ADORA3 (0.69) ADORA3PPARGABCB1MAPTACE2
SCHEMBL31031138 0.88 ADORA3 (0.75) ADORA3PPARGABCB1MAPTACE2
SCHEMBL174699 0.84 ADORA3 (0.60) ADORA3PPARGABCB1MAPTACE2
SCHEMBL176174 0.84 ADORA3 (0.61) ADORA3PPARGABCB1MAPTACE2
SCHEMBL176175 0.83 ADORA3 (0.58) ADORA3PPARGABCB1MAPTACE2
SCHEMBL12621081 0.82 ABCB1 (0.62) ADORA3PPARGABCB1MAPTABCG2
SCHEMBL1421560 0.82 ACE2 (0.69) ADORA3PPARGABCB1MAPTACE2

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 2 patents. 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
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 ADORA3 2000/4885PPARG 209/4885ABCB1 1417/4885

“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.