SCHEMBL5516840

SCHEMBL5516840

CCOC(OCC)(OCCF)C(OCC)(OCC)Oc1ccc2nc(-c3ccccc3N(C)C)cn2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.35
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
NPC1 O15118 4/20 0.33
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
PKM P14618 3/20 0.33
RAB9A P51151 3/20 0.33
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 3/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
HRH3 Q9Y5N1 3/20 0.32
ALDH1A3 P47895 1/20 0.32
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
GRM5 P41594 1/20 0.31
FFAR1 O14842 1/20 0.31
LMNA P02545 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
SCHEMBL4152917 0.89 APP (0.35) APPPDCD1CD274NPC1ALDH1A1
SCHEMBL4154943 0.82 APP (0.42) APPNPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL4150960 0.77 APP (0.38) APPPDCD1CD274NPC1ALDH1A1
SCHEMBL4162170 0.73 AKT1 (0.38) NPC1RAB9A
SCHEMBL913532 0.67 APP (0.58) APPNPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL5048522 0.67 APP (0.58) APPNPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL4142197 0.67 APP (0.51) APP
SCHEMBL5048495 0.64 KDM4E (0.35) APPNPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL4162168 0.62 APP (0.52) APPHRH3
SCHEMBL4154941 0.62 APP (0.69) APP

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-20070031328-A1 Radiolabeled-pegylation of ligands for use as imaging agents NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-02-08 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-20070031328-A1 Radiolabeled-pegylation of ligands for use as imaging agents EGFR, LANCL1, FLT1 APP 4458/4885PDCD1 3767/4885CD274 827/4885

“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.