SCHEMBL2069704

SCHEMBL2069704

CC(=O)Oc1ccc(C2COc3c(ccc(OC(C)=O)c3OC(C)=O)C2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
THRB P10828 1/20 0.43
ADORA3 P0DMS8 1/20 0.38
KDM4E B2RXH2 3/20 0.35
CYP3A4 P08684 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PREP P48147 1/20 0.34
PTGS1 P23219 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CUL4A Q13619 1/20 0.32
NR3C1 P04150 1/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
PTPN1 P18031 2/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32

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
SCHEMBL7506248 1.00 MAPK1 (0.43) MAPK1LMNAMAPTTHRBADORA3
SCHEMBL2070071 1.00 MAPK1 (0.43) MAPK1LMNAMAPTTHRBADORA3
SCHEMBL2071213 1.00 MAPK1 (0.43) MAPK1LMNAMAPTTHRBADORA3
SCHEMBL2071215 1.00 MAPK1 (0.43) MAPK1LMNAMAPTTHRBADORA3
SCHEMBL6091864 0.93 MAPT (0.42) MAPK1LMNAMAPTTHRBKDM4E
SCHEMBL2071317 0.88 LMNA (0.37) MAPK1LMNAMAPTTHRBADORA3
SCHEMBL2072015 0.88 LMNA (0.37) MAPK1LMNAMAPTTHRBADORA3
SCHEMBL2072017 0.88 LMNA (0.37) MAPK1LMNAMAPTTHRBADORA3
SCHEMBL2069335 0.88 LMNA (0.37) MAPK1LMNAMAPTTHRBADORA3
SCHEMBL179234 0.87 KDM4E (0.34) MAPK1LMNAMAPTTHRBADORA3

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 8 patents. 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
US-20050143588-A1 Production of isoflavone derivatives NOVOGEN RESEARCH PTY LTD. 2005-06-30 US claimed
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
EP-1153020-A4 PRODUCTION OF ISOFLAVONE DERIVATIVES NOVOGEN RES PTY LTD (AU) 2002-08-21 EP disclosed
EP-1153020-A1 PRODUCTION OF ISOFLAVONE DERIVATIVES Novogen Research Pty. Ltd. (AU) 2001-11-14 EP disclosed
WO-2000049009-A1 PRODUCTION OF ISOFLAVONE DERIVATIVES NOVOGEN RESEARCH PTY. LTD. (AU) 2000-08-24 WO 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 MAPK1 2997/4885LMNA 2515/4885MAPT 3761/4885
US-20050143588-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 MAPK1 2997/4885LMNA 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.