SCHEMBL2802807

SCHEMBL2802807

Nc1ccc(-c2ccc3cc(OCCOCCOCCO)ccc3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.60
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NCF1 P14598 7/20 0.49
MAPT P10636 2/20 0.48
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PLAU P00749 1/20 0.42
ALDH2 P05091 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
ABL1 P00519 1/20 0.40

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
SCHEMBL2801561 0.91 APP (0.60) APPKDM4EMAPK1TDP1NCF1
SCHEMBL2803139 0.88 APP (0.60) APPKDM4EMAPK1TDP1NCF1
SCHEMBL12012118 0.82 APP (0.83) APPMAPK1TDP1NPC1RAB9A
SCHEMBL2938783 0.82 APP (0.83) APPMAPK1TDP1NPC1RAB9A
SCHEMBL6080694 0.82 APP (0.83) APPMAPK1TDP1NPC1RAB9A
SCHEMBL12012119 0.82 APP (0.83) APPMAPK1TDP1NPC1RAB9A
SCHEMBL12143990 0.82 APP (0.83) APPMAPK1TDP1NPC1RAB9A
SCHEMBL12012117 0.82 APP (0.83) APPMAPK1TDP1NPC1RAB9A
SCHEMBL2799466 0.82 APP (0.63) APPKDM4EMAPK1TDP1MAPT
SCHEMBL2800454 0.80 ALDH1A1 (0.46) KDM4EMAPK1TDP1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100215579-A1 PHEN-NAPHTHALENE AND PHEN-QUINOLINE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (PA) 2010-08-26 US disclosed
EP-2144916-A1 PHEN-NAPHTHALENE AND PHEN-QUINOLINE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES The Trustees of the University of Pennsylvania (US) 2010-01-20 EP disclosed
WO-2008124812-A1 PHEN-NAPHTHALENE AND PHEN-QUINOLINE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-10-16 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-20100215579-A1 PHEN-NAPHTHALENE AND PHEN-QUINOLINE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES APP, PSEN1, PSEN2 APP 1/4885KDM4E 3675/4885MAPK1 3496/4885

“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.