SCHEMBL4366187

SCHEMBL4366187

CC(=O)Oc1ccc2ccccc2c1-c1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.59
ADK P55263 1/20 0.59
NCEH1 Q6PIU2 7/20 0.47
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLC22A12 Q96S37 1/20 0.44
GAA P10253 2/20 0.43
PGR P06401 1/20 0.43
PTGS1 P23219 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL30448667 1.00 GSK3B (0.59) GSK3BADKNCEH1MAPTALDH1A1
SCHEMBL30710587 0.89 MAPT (0.58) GSK3BADKNCEH1MAPTALDH1A1
SCHEMBL12199931 0.89 MAPT (0.58) GSK3BADKNCEH1MAPTALDH1A1
SCHEMBL9138035 0.87 GSK3B (0.48) GSK3BADKNCEH1MAPTALDH1A1
SCHEMBL1939486 0.87 GSK3B (0.49) GSK3BADKNCEH1MAPTALDH1A1
SCHEMBL9138037 0.86 GSK3B (0.47) GSK3BADKNCEH1MAPTALDH1A1
SCHEMBL16237145 0.83 MAPT (0.71) NCEH1MAPTALDH1A1MEN1RAB9A
SCHEMBL27994957 0.83 NCEH1 (0.48) GSK3BADKNCEH1MAPTALDH1A1
SCHEMBL10806722 0.82 GSK3B (0.56) GSK3BADKMAPTALDH1A1MEN1
SCHEMBL14118237 0.81 NCEH1 (0.50) GSK3BADKNCEH1MAPTGAA

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-7619003-B2 Process for producing optically active compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-11-17 US disclosed
US-20060173210-A1 Process for producing optically active compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2006-08-03 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-20060173210-A1 Process for producing optically active compound ADH5, ADH1A, ADH4 GSK3B 4095/4885ADK 1519/4885NCEH1 888/4885

“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.