SCHEMBL2176741

SCHEMBL2176741

COc1cc(C)c(C(C)=O)c(OC)c1CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ABL1 P00519 1/20 0.42
RECQL P46063 1/20 0.42
RIN1 Q13671 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
CYP3A4 P08684 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
HPGD P15428 2/20 0.40
GFER P55789 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 4/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
KCNA3 P22001 1/20 0.39

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
SCHEMBL3393367 0.78 ALOX5 (0.47) POLBKDM4EKMT2AHPGDALDH1A1
SCHEMBL28520091 0.74 LMNA (0.58) POLBMAPTKDM4EABL1RECQL
SCHEMBL12553293 0.73 ALDH1A1 (0.49) POLBMAPTKDM4ECYP3A4MEN1
SCHEMBL12409067 0.73 POLB (0.53) POLBMAPTKDM4ECYP3A4MEN1
SCHEMBL11321057 0.72 CYP3A4 (0.54) POLBMAPTCYP3A4MEN1KMT2A
SCHEMBL510321 0.72 KDM4E (0.47) POLBMAPTKDM4EMEN1KMT2A
SCHEMBL28666818 0.71 GAA (0.46) POLBMAPTKDM4EABL1RECQL
SCHEMBL28520723 0.71 PKM (0.57) POLBKDM4ECTDSP1CYP3A4TDP1
SCHEMBL10806988 0.70 KDM4E (0.38) POLBMAPTKDM4EABL1RECQL
SCHEMBL1154261 0.70 KDM4E (0.47) MAPTKDM4ECYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507539-B2 Potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2013-08-13 US disclosed
US-20110166130-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2011-07-07 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-20110166130-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF KCNA3, KCNB1, KCNK3 POLB 4507/4885MAPT 2277/4885KDM4E 653/4885

“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.