SCHEMBL10047396

SCHEMBL10047396

COc1ccc2oc(-c3ccc(I)cc3)cc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.73
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
TP53 P04637 2/20 0.52
CYP3A4 P08684 2/20 0.52
MAPT P10636 2/20 0.52
HPGD P15428 2/20 0.52
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.52
THRB P10828 1/20 0.52
NFKB1 P19838 1/20 0.52
RAB9A P51151 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
MAOB P27338 6/20 0.51
MEN1 O00255 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL29873198 0.90 APP (0.82) APPKDM4EALDH1A1TP53CYP3A4
SCHEMBL14833013 0.90 APP (0.82) APPKDM4EALDH1A1TP53CYP3A4
SCHEMBL10047398 0.89 APP (0.57) APPKDM4EALDH1A1TP53CYP3A4
SCHEMBL11844763 0.86 APP (0.75) APPKDM4EALDH1A1TP53CYP3A4
SCHEMBL729457 0.84 APP (0.73) APPKDM4EALDH1A1TP53CYP3A4
SCHEMBL735788 0.84 APP (0.73) APPKDM4EALDH1A1TP53CYP3A4
SCHEMBL6822571 0.84 APP (0.72) APPKDM4EALDH1A1TP53CYP3A4
SCHEMBL10901627 0.81 APP (0.68) APPKDM4EALDH1A1TP53CYP3A4
SCHEMBL15157318 0.81 APP (0.68) APPKDM4EALDH1A1TP53CYP3A4
SCHEMBL11733647 0.79 MAOB (0.67) APPKDM4EALDH1A1TP53CYP3A4

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-8138360-B2 substrates for amyloidogenic proteins, for example, A beta 1-42, an amyloid protein, brain deposits of which are associated with Alzheimer's disease University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2012-03-20 US disclosed
US-20080274058-A1 Isotopically-Labeled Benzofuran Compounds as Imaging Agents for Amyloidogenic Proteins UNIVERSITY OF PITTSBURGH- OF COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2008-11-06 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-20080274058-A1 Isotopically-Labeled Benzofuran Compounds as Imaging Agents for Amyloidogenic Proteins BACE1, APP, BACE2 APP 2/4885KDM4E 3868/4885ALDH1A1 2172/4885

“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.