SCHEMBL2069028

SCHEMBL2069028

CC(=O)Oc1cccc([C@@H]2COc3cc(OC(C)=O)ccc3[C@H]2O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.45
LMNA P02545 1/20 0.41
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PPARG P37231 3/20 0.40
PPARD Q03181 3/20 0.40
ACHE P22303 3/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PTPN1 P18031 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
SLC6A4 P31645 1/20 0.39
FFAR1 O14842 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
CYP2D6 P10635 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
SCHEMBL7503993 1.00 CYP3A4 (0.45) CYP3A4LMNAMAPTMAPK1TDP1
SCHEMBL2069802 1.00 CYP3A4 (0.45) CYP3A4LMNAMAPTMAPK1TDP1
SCHEMBL2069030 1.00 CYP3A4 (0.45) CYP3A4LMNAMAPTMAPK1TDP1
SCHEMBL2069484 0.95 MAPT (0.47) CYP3A4LMNAMAPTMAPK1TDP1
SCHEMBL2072213 0.95 MAPT (0.47) CYP3A4LMNAMAPTMAPK1TDP1
SCHEMBL2069700 0.95 MAPT (0.47) CYP3A4LMNAMAPTMAPK1TDP1
SCHEMBL2069701 0.95 MAPT (0.47) CYP3A4LMNAMAPTMAPK1TDP1
SCHEMBL2069981 0.93 CYP3A4 (0.45) CYP3A4MAPTMAPK1TDP1PPARG
SCHEMBL2069977 0.93 CYP3A4 (0.45) CYP3A4MAPTMAPK1TDP1PPARG
SCHEMBL2071188 0.93 CYP3A4 (0.45) CYP3A4MAPTMAPK1TDP1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906660-B2 Production of isoflavone derivatives NOVOGEN RESEARCH PTY LTD (AU) 2011-03-15 US disclosed
US-20060217564-A1 Production of isoflavone derivatives NOVOGEN RESEARCH PTY LTD. 2006-09-28 US disclosed
US-20050143588-A1 Production of isoflavone derivatives NOVOGEN RESEARCH PTY LTD. 2005-06-30 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 (2 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-20060217564-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 CYP3A4 14/4885LMNA 2515/4885MAPT 3761/4885
US-20050143588-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 CYP3A4 14/4885LMNA 2515/4885MAPT 3761/4885

“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.