SCHEMBL2069700

SCHEMBL2069700

COc1cccc([C@H]2COc3cc(OC(C)=O)ccc3[C@H]2O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP3A4 P08684 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 3/20 0.46
CYP2D6 P10635 3/20 0.46
CYP2C19 P33261 3/20 0.46
KMT2A Q03164 3/20 0.46
HIF1A Q16665 3/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
NFKB1 P19838 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
USP2 O75604 1/20 0.45

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
SCHEMBL2069484 1.00 MAPT (0.47) MAPTMAPK1TDP1CYP3A4SMN1; SMN2
SCHEMBL2072213 1.00 MAPT (0.47) MAPTMAPK1TDP1CYP3A4SMN1; SMN2
SCHEMBL2069701 1.00 MAPT (0.47) MAPTMAPK1TDP1CYP3A4SMN1; SMN2
SCHEMBL2069802 0.95 CYP3A4 (0.45) MAPTMAPK1TDP1CYP3A4SMN1; SMN2
SCHEMBL7503993 0.95 CYP3A4 (0.45) MAPTMAPK1TDP1CYP3A4SMN1; SMN2
SCHEMBL2069030 0.95 CYP3A4 (0.45) MAPTMAPK1TDP1CYP3A4SMN1; SMN2
SCHEMBL2069028 0.95 CYP3A4 (0.45) MAPTMAPK1TDP1CYP3A4SMN1; SMN2
SCHEMBL2070355 0.90 CYP3A4 (0.46) MAPTMAPK1TDP1CYP3A4SMN1; SMN2
SCHEMBL2070356 0.90 CYP3A4 (0.46) MAPTMAPK1TDP1CYP3A4SMN1; SMN2
SCHEMBL2070800 0.90 CYP3A4 (0.46) MAPTMAPK1TDP1CYP3A4SMN1; SMN2

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 4 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-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF NOVOGEN RESEARCH PTY LTD (AU) 2009-09-17 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 (3 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 MAPT 3761/4885MAPK1 2997/4885TDP1 4696/4885
US-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF SHBG, OAT, APOB MAPT 3422/4885MAPK1 4428/4885TDP1 4297/4885
US-20050143588-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 MAPT 3761/4885MAPK1 2997/4885TDP1 4696/4885

“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.