SCHEMBL4483486

SCHEMBL4483486

Nc1ccc(O)c(O)c1.O=C(O)COc1ccc(O)c(O)c1.Oc1ccc(CNCC(O)COc2ccc(O)c(O)c2)cc1O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 3/20 0.50
ADRB2 P07550 8/20 0.47
ADRB1 P08588 5/20 0.47
CYP1A2 P05177 1/20 0.47
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42

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
SCHEMBL109055 0.84 ADRB3 (0.65) ADRB3ADRB2ADRB1
SCHEMBL5436707 0.80 ADRB2 (0.63) ADRB3ADRB2ADRB1
SCHEMBL175681 0.80 PPARD (0.50) MEN1KMT2A
SCHEMBL8757447 0.75 ADRB2 (0.67) ADRB3ADRB2ADRB1CYP1A2
SCHEMBL14106867 0.75 ADRB3 (0.54) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL15387243 0.72 HSD17B10 (0.49) ERCC1ERCC4
SCHEMBL11757626 0.72 ADRB3 (0.71) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL4019934 0.71 PTPN7 (0.59) MEN1KMT2A
SCHEMBL4483490 0.70 ERCC1 (0.37) ADRB3ADRB2ADRB1ERCC1ERCC4
SCHEMBL11753802 0.70 ADRB3 (0.68) ADRB3ADRB2ADRB1MEN1KMT2A

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-20090197965-A1 Bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; Alzheimer's disease; diabetes; A beta amyloidosis SNOW ALAN D 2009-08-06 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-20090197965-A1 Bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; Alzheimer's disease; diabetes; A beta amyloidosis IAPP, APP, SNCA ADRB3 138/4885ADRB2 62/4885ADRB1 114/4885

“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.