SCHEMBL4483490

SCHEMBL4483490

Nc1ccc(O)c(Oc2cc(OCC(=O)OC(NCc3ccc(O)c(O)c3)C(O)COc3ccc(O)c(O)c3)ccc2O)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 3/20 0.37
ERCC4 Q92889 3/20 0.37
ADRB2 P07550 6/20 0.36
ADRB1 P08588 3/20 0.36
ADRB3 P13945 2/20 0.34
CARM1 Q86X55 2/20 0.31
PRMT6 Q96LA8 2/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
F2 P00734 1/20 0.30
ARG1 P05089 1/20 0.30

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
SCHEMBL175682 0.72 GAA (0.40) ADRB2ADRB1THRB
SCHEMBL4483486 0.70 ADRB3 (0.50) ERCC1ERCC4ADRB2ADRB1ADRB3
SCHEMBL3288652 0.65 ERCC1 (0.57) ERCC1ERCC4ADRB2ADRB1ADRB3
SCHEMBL108628 0.64 ERCC1 (0.79) ERCC1ERCC4
SCHEMBL175681 0.64 PPARD (0.50) THRB
SCHEMBL175736 0.62 YWHAG (0.53) ERCC1ERCC4ADRB2
SCHEMBL109055 0.62 ADRB3 (0.65) ADRB2ADRB1ADRB3
SCHEMBL175651 0.61 APP (0.57) ADRB2
SCHEMBL17779423 0.60 HPGD (0.40) ADRB2ADRB1ADRB3
SCHEMBL17498275 0.59 CA1 (0.52) THRB

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 ERCC1 4117/4885ERCC4 4337/4885ADRB2 62/4885

“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.