SCHEMBL2175836

SCHEMBL2175836

COCCCOc1cc(CBr)cc(C(=O)OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
RAB9A P51151 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
PLA2G2A P14555 1/20 0.37
CYP4F2 P78329 3/20 0.37
CYP4A11 Q02928 3/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.37
NFKB1 P19838 1/20 0.37
XDH P47989 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
SCHEMBL89159 0.88 KDM4E (0.48) MAPTKDM4EALDH1A1GAARAB9A
SCHEMBL2176462 0.87 MAPT (0.45) MAPTKDM4EALDH1A1GAARAB9A
SCHEMBL89250 0.86 MAPT (0.53) MAPTKDM4EALDH1A1GAARAB9A
SCHEMBL3490269 0.86 MAPT (0.53) MAPTKDM4EALDH1A1GAARAB9A
SCHEMBL17113112 0.85 MAPT (0.41) MAPTKDM4EALDH1A1GAARAB9A
SCHEMBL21818081 0.84 KDM4E (0.42) MAPTKDM4EALDH1A1GAARAB9A
SCHEMBL17113192 0.83 MAPK1 (0.44) MAPTKDM4EALDH1A1GAARAB9A
SCHEMBL89596 0.82 RAB9A (0.50) MAPTKDM4EALDH1A1GAARAB9A
SCHEMBL29581270 0.82 CA1 (0.47) MAPTKDM4EALDH1A1GAARAB9A
SCHEMBL1096840 0.82 CA1 (0.47) MAPTKDM4EALDH1A1GAARAB9A

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-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-07-12 US disclosed
WO-2011081280-A2 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2011-07-07 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-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF GCK, GCKR, HK1 MAPT 3236/4885KDM4E 1290/4885ALDH1A1 998/4885

“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.