SCHEMBL197805

SCHEMBL197805

O=C(CCc1ccc(O)c(O)c1)OCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.76
TDP1 Q9NUW8 1/20 0.56
IGF1R P08069 1/20 0.54
ALOX15 P16050 1/20 0.54
ERCC1 P07992 1/20 0.54
ERCC4 Q92889 1/20 0.54
MAPK1 P28482 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 1/20 0.51
LCK P06239 1/20 0.51
YWHAG P61981 1/20 0.51
CYP19A1 P11511 1/20 0.51
TYR P14679 1/20 0.51
AKR1B10 O60218 1/20 0.51
TTR P02766 1/20 0.51
AKR1B1 P15121 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
IAPP P10997 2/20 0.50

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
SCHEMBL781984 0.87 APP (0.59) APPTDP1MAPK1L3MBTL1ALDH1A1
SCHEMBL490480 0.87 APP (1.00) APPTDP1IGF1RALOX15ERCC1
SCHEMBL23086060 0.86 APP (0.58) APPTDP1MAPK1L3MBTL1ALDH1A1
SCHEMBL28209720 0.84 ALDH1A1 (0.69) APPTDP1IGF1RALOX15ERCC1
SCHEMBL56986 0.84 TDP1 (0.59) APPTDP1MAPK1L3MBTL1ALDH1A1
SCHEMBL20914966 0.84 APP (0.84) APPTDP1IGF1RALOX15ERCC1
SCHEMBL3735867 0.84 APP (0.62) APPTDP1IGF1RALOX15ERCC1
SCHEMBL305392 0.84 TDP1 (0.68) APPTDP1MAPK1L3MBTL1ALDH1A1
SCHEMBL9857796 0.84 APP (0.55) APPTDP1ALOX15MAPK1L3MBTL1
SCHEMBL28039284 0.84 APP (0.59) APPTDP1MAPK1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094973-A1 CATECHOL-BASED DERIVATIVES FOR TREATING OR PREVENTING DIABETICS NATIONAL TAIWAN UNIVERSITY (TW) 2012-04-19 US disclosed
US-8088818-B2 Catechol-based derivatives for treating or preventing diabetics NATIONAL TAIWAN UNIVERSITY (TW) 2012-01-03 US disclosed
US-20110224260-A1 CATECHOL-BASED DERIVATIVES FOR TREATING OR PREVENTING DIABETICS NATIONAL TAIWAN UNIVERSITY (TW) 2011-09-15 US disclosed
US-20090143397-A1 CATECHOL-BASED DERIVATIVES FOR TREATING OR PREVENTING DIABETICS LOTUS PHARMACEUTICAL CO., LTD. (TW) 2009-06-04 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 (3 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-20120094973-A1 CATECHOL-BASED DERIVATIVES FOR TREATING OR PREVENTING DIABETICS SLC5A2, SLC5A1, SLC2A8 APP 3380/4885TDP1 3767/4885IGF1R 1552/4885
US-20110224260-A1 CATECHOL-BASED DERIVATIVES FOR TREATING OR PREVENTING DIABETICS SLC5A2, SLC5A1, SLC2A8 APP 3380/4885TDP1 3767/4885IGF1R 1552/4885
US-20090143397-A1 CATECHOL-BASED DERIVATIVES FOR TREATING OR PREVENTING DIABETICS SLC5A2, SLC5A1, SLC2A3 APP 3044/4885TDP1 3586/4885IGF1R 1587/4885

“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.