SCHEMBL3218170

SCHEMBL3218170

CC(O)c1ccc2cc(N(C)C)ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.60
TERT O14746 1/20 0.44
APP P05067 1/20 0.44
GAA P10253 2/20 0.40
AOC3 Q16853 1/20 0.40
ATM Q13315 1/20 0.40
SLC2A1 P11166 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KCNH2 Q12809 1/20 0.37
TSHR P16473 2/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL13486856 0.86 UGT2B7 (0.44) UGT2B7TERTAPPGAAATM
SCHEMBL13486848 0.86 UGT2B7 (0.53) UGT2B7GAAATMSLC2A1ALDH1A1
SCHEMBL15701594 0.84 TERT (0.47) UGT2B7TERTAPPAOC3SLC2A1
SCHEMBL5610446 0.83 UGT2B7 (0.82) UGT2B7ATMMEN1KMT2ATSHR
SCHEMBL13486850 0.82 PTGS1 (0.49) UGT2B7APPGAAALDH1A1MEN1
SCHEMBL13486852 0.82 UGT2B7 (0.49) UGT2B7APPGAAAOC3ATM
SCHEMBL13486858 0.82 PTGS1 (0.45) UGT2B7APPMEN1KMT2AALOX15
SCHEMBL13486860 0.82 UGT2B7 (0.41) UGT2B7TERTAPPGAAAOC3
SCHEMBL23172993 0.81 TERT (0.48) UGT2B7TERTAPPAOC3SLC2A1
SCHEMBL14515206 0.80 AOC3 (0.47) UGT2B7TERTAPPGAAAOC3

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-20100048604-A1 Ligands for Aldoketoreductases TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2010-02-25 US disclosed
US-20100048604-A1 Ligands for Aldoketoreductases TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2010-02-25 US disclosed
US-20100048604-A1 Ligands for Aldoketoreductases TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2010-02-25 US disclosed
WO-2006023821-A2 LIGANDS FOR ALDOKETOREDUCTASES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2006-03-02 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-20100048604-A1 Ligands for Aldoketoreductases AKR1C2, AKR1C1, AKR1B1 UGT2B7 151/4885TERT 3087/4885APP 3894/4885

“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.