SCHEMBL6517878

SCHEMBL6517878

COC(=O)c1c(OCCO)cccc1OCCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
KDM4E B2RXH2 2/20 0.42
TSHR P16473 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
PTPN1 P18031 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL9713311 0.86 CA9 (0.50) CA12CA1CA2CA7CA9
SCHEMBL6900910 0.81 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL6280141 0.81 HSP90AA1 (0.59) KDM4ETSHRLMNAHTTSMN1; SMN2
SCHEMBL31437079 0.80 MAPT (0.49) L3MBTL1TDP1KDM4ETSHRLMNA
SCHEMBL24571900 0.80 MAPT (0.49) L3MBTL1TDP1KDM4ETSHRLMNA
SCHEMBL29206249 0.80 MAPT (0.46) CA12CA1CA2CA7CA9
SCHEMBL23748725 0.79 PPARA (0.52) CA12CA1CA2CA7CA9
SCHEMBL15813867 0.78 SMN1; SMN2 (0.40) CA12CA1CA2CA7CA9
SCHEMBL21543887 0.77 ALDH1A1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL24571901 0.77 ALDH1A1 (0.43) CYP4F2CYP4A11KDM4ETSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050123533-A1 Prodrugs activated by targeted catalytic proteins WELLSTAT BIOCATALYSIS, LLC 2005-06-09 US disclosed
US-20030096765-A1 Prodrugs activated by targeted catalytic proteins IGEN, INC. 2003-05-22 US disclosed
EP-0746336-A1 PRODRUGS ACTIVATED BY TARGETED CATALYTIC PROTEINS IGEN, INC. (US) 1996-12-11 EP disclosed
EP-0746336-A4 PRODRUGS ACTIVATED BY TARGETED CATALYTIC PROTEINS IGEN INC (US) 1996-07-26 EP disclosed
WO-1993002703-A1 PRODRUGS ACTIVATED BY TARGETED CATALYTIC PROTEINS IGEN, INC. (US) 1993-02-18 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 (2 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-20050123533-A1 Prodrugs activated by targeted catalytic proteins DNPH1, DNPEP, PNP CA12 484/4885CA1 520/4885CA2 1188/4885
US-20030096765-A1 Prodrugs activated by targeted catalytic proteins DNPH1, DNPEP, PNP CA12 484/4885CA1 520/4885CA2 1188/4885

“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.