SCHEMBL2070800

SCHEMBL2070800

COc1ccc([C@H]2COc3cc(OC(C)=O)ccc3[C@H]2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
LTB4R Q15722 3/20 0.45
LTB4R2 Q9NPC1 3/20 0.45
USP2 O75604 1/20 0.45
MAPT P10636 3/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
EDNRA P25101 3/20 0.42
EDNRB P24530 2/20 0.42
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
MTNR1A P48039 2/20 0.40
ALDH1A1 P00352 2/20 0.40
BACE1 P56817 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL2070802 1.00 CYP3A4 (0.46) CYP3A4LTB4RLTB4R2USP2MAPT
SCHEMBL2070355 1.00 CYP3A4 (0.46) CYP3A4LTB4RLTB4R2USP2MAPT
SCHEMBL2070356 1.00 CYP3A4 (0.46) CYP3A4LTB4RLTB4R2USP2MAPT
SCHEMBL2070082 0.94 CYP3A4 (0.44) CYP3A4LTB4RLTB4R2USP2MAPT
SCHEMBL1725625 0.94 CYP3A4 (0.44) CYP3A4LTB4RLTB4R2USP2MAPT
SCHEMBL1724275 0.94 CYP3A4 (0.44) CYP3A4LTB4RLTB4R2USP2MAPT
SCHEMBL1724274 0.94 CYP3A4 (0.44) CYP3A4LTB4RLTB4R2USP2MAPT
SCHEMBL2069700 0.90 MAPT (0.47) CYP3A4LTB4RLTB4R2USP2MAPT
SCHEMBL2069484 0.90 MAPT (0.47) CYP3A4LTB4RLTB4R2USP2MAPT
SCHEMBL2069701 0.90 MAPT (0.47) CYP3A4LTB4RLTB4R2USP2MAPT

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 14/4885LTB4R 4315/4885LTB4R2 4072/4885
US-20050143588-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 CYP3A4 14/4885LTB4R 4315/4885LTB4R2 4072/4885

“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.