SCHEMBL6092580

SCHEMBL6092580

COc1cccc(C2COc3cc(O)ccc3C2O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.54
CYP19A1 P11511 1/20 0.44
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
LMNA P02545 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
MEN1 O00255 2/20 0.42
CYP2D6 P10635 2/20 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
SCHEMBL2070036 0.87 CYP3A4 (0.53) CYP3A4USP2MAPTESR1ESR2
SCHEMBL2070035 0.87 CYP3A4 (0.53) CYP3A4USP2MAPTESR1ESR2
SCHEMBL7500860 0.87 CYP3A4 (0.53) CYP3A4USP2MAPTESR1ESR2
SCHEMBL24103712 0.86 ESR1 (0.50) CYP3A4CYP19A1SMN1; SMN2MAPTESR1
SCHEMBL17965954 0.86 ESR1 (0.50) CYP3A4CYP19A1SMN1; SMN2MAPTESR1
SCHEMBL30362774 0.86 ESR1 (0.50) CYP3A4CYP19A1SMN1; SMN2MAPTESR1
SCHEMBL242969 0.86 ESR1 (0.50) CYP3A4CYP19A1SMN1; SMN2MAPTESR1
SCHEMBL6093567 0.85 CYP3A4 (0.50) CYP3A4CYP19A1ESR1ESR2MAOA
SCHEMBL24103707 0.84 ESR1 (0.55) CYP3A4CYP19A1SMN1; SMN2MAPTESR1
SCHEMBL17965956 0.84 ESR1 (0.55) CYP3A4CYP19A1SMN1; SMN2MAPTESR1

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-20060217564-A1 Production of isoflavone derivatives NOVOGEN RESEARCH PTY LTD. 2006-09-28 US claimed

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-20060217564-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 CYP3A4 14/4885CYP19A1 5/4885USP2 2930/4885

“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.