SCHEMBL2800869

SCHEMBL2800869

CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3cc(OCCOCCOCCOS(C)(=O)=O)ccc3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.39
KDM4E B2RXH2 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
MAPK1 P28482 1/20 0.34
RARB P10826 2/20 0.34
RARA P10276 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PDK2 Q15119 1/20 0.33
MCHR1 Q99705 2/20 0.33
F2 P00734 1/20 0.33
BCHE P06276 1/20 0.33
CNR2 P34972 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
NCF1 P14598 3/20 0.33
KAT6A Q92794 1/20 0.32
KAT5 Q92993 1/20 0.32
KAT8 Q9H7Z6 1/20 0.32

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
SCHEMBL13196995 0.97 PAX8 (0.41) PAX8KDM4EALDH1A1PDK2MCHR1
SCHEMBL2799477 0.94 PAX8 (0.37) PAX8RARBRARAMCHR1BCHE
SCHEMBL2799628 0.88 APP (0.43) PAX8KDM4ETDP1MAPK1RARB
SCHEMBL2829909 0.85 PTPN1 (0.39)
SCHEMBL2831100 0.85 PTPN1 (0.39)
SCHEMBL2835063 0.85 PTPN1 (0.39)
SCHEMBL2829905 0.85 PTPN1 (0.39)
SCHEMBL11301752 0.85 PTPN1 (0.39)
SCHEMBL2831098 0.85 PTPN1 (0.39)
SCHEMBL2830447 0.85 PTPN1 (0.39)

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-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

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 PAX8 1845/4885KDM4E 3675/4885TDP1 1325/4885

“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.