SCHEMBL12413233

SCHEMBL12413233

CC(=O)Oc1cccc(C2=Cc3ccc(C)cc3OC2C)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
MAOB P27338 2/20 0.46
ACHE P22303 1/20 0.42
MAPT P10636 4/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.39
GAPDH P04406 2/20 0.38
ADORA2A P29274 1/20 0.38
GAA P10253 1/20 0.36
PTGS2 P35354 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34

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
SCHEMBL2182368 0.92 ACHE (0.45) LMNAMAOBACHEMAPTALDH1A1
SCHEMBL12413215 0.87 LMNA (0.45) LMNAMAOBACHEMAPTALDH1A1
SCHEMBL2180009 0.81 CA2 (0.44) LMNAACHEMAPTALDH1A1CYP3A4
SCHEMBL12413283 0.75 LMNA (0.45) LMNAMAOBMAPTALDH1A1CYP3A4
SCHEMBL12413264 0.74 LMNA (0.43) LMNAMAOBMAPTALDH1A1GAPDH
SCHEMBL12413374 0.73 LMNA (0.40) LMNAMAOBMAPTALDH1A1GAA
SCHEMBL12413367 0.73 PTGS2 (0.46) LMNAMAOBGAAPTGS2CA2
SCHEMBL12413209 0.73 LMNA (0.42) LMNAMAOBMAPTALDH1A1GAA
SCHEMBL12413295 0.73 LMNA (0.42) LMNAMAOBMAPTALDH1A1GAPDH
SCHEMBL12413254 0.73 LMNA (0.42) LMNAMAOBMAPTALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166142-A1 2-SUBSTITUTED ISOFLAVONOID COMPOUNDS, MEDICAMENTS AND USES NOVOGEN RESEARCH PTY 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-20110166142-A1 2-SUBSTITUTED ISOFLAVONOID COMPOUNDS, MEDICAMENTS AND USES NFE2L2, PTGS2, PTGES2 LMNA 2234/4885MAOB 580/4885ACHE 2683/4885

“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.