SCHEMBL2607482

SCHEMBL2607482

CC(C)c1ccc2ccc[n+]([O-])c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.39
KMT2A Q03164 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
TRPA1 O75762 1/20 0.32
PTGS1 P23219 1/20 0.32
CACNA1C Q13936 1/20 0.32
HIF1A Q16665 2/20 0.32
MEN1 O00255 2/20 0.32
EIF4A3 P38919 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
KIF11 P52732 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 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
SCHEMBL1643211 0.86 UGT2B7 (0.39) UGT2B7KMT2AL3MBTL1LMNAACHE
SCHEMBL15631185 0.79 UGT2B7 (0.43) UGT2B7KMT2ALMNABCHEACHE
SCHEMBL11819827 0.77 LMNA (0.38) UGT2B7KMT2AL3MBTL1LMNATRPA1
SCHEMBL758788 0.76 CYP2A6 (0.45) KMT2ALMNABCHEACHEMEN1
SCHEMBL5782822 0.72 CYP2A6 (0.45) KMT2AL3MBTL1BCHEACHEMEN1
SCHEMBL2107267 0.72 CYP1A2 (0.45) BCHEACHECYP1A2ALDH1A1GAA
SCHEMBL2088214 0.72 CYP2A6 (0.45) KMT2AL3MBTL1LMNABCHEACHE
SCHEMBL1286632 0.72 MEN1 (0.47) KMT2ALMNABCHEACHEPTGS1
SCHEMBL1771117 0.72 TNNI3 (0.47) KMT2AACHEHIF1AMEN1CYP1A2
SCHEMBL15828574 0.71 ALDH1A1 (0.34) KMT2AL3MBTL1BCHEACHEMEN1

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-9447134-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2016-09-20 US disclosed
US-20150210727-A1 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-07-30 US disclosed
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-09 US disclosed
US-8969342-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2015-03-03 US disclosed
US-20120101096-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections University of Georgia Foundation, Inc. (US) 2012-04-26 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 (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-20120101096-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 UGT2B7 861/4885KMT2A 3016/4885L3MBTL1 2101/4885
US-20150210727-A1 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS IMPDH1, IMPDH2, IMPA1 UGT2B7 1368/4885KMT2A 3718/4885L3MBTL1 2514/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 UGT2B7 861/4885KMT2A 3016/4885L3MBTL1 2101/4885

“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.