SCHEMBL2069573

SCHEMBL2069573

CC(=O)Oc1cccc(-c2coc3c(C)c(OC(C)=O)ccc3c2=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.57
SMN1; SMN2 Q16637 6/20 0.57
KDM4E B2RXH2 5/20 0.57
ALDH1A1 P00352 4/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 1/20 0.57
LMNA P02545 4/20 0.49
POLB P06746 2/20 0.49
ALOX15 P16050 2/20 0.49
ALOX12 P18054 2/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAOB P27338 1/20 0.48
GAPDH P04406 2/20 0.48
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
HPGD P15428 2/20 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
SCHEMBL4300808 0.88 MAPT (0.61) MAPTSMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL7500266 0.88 MAPT (0.51) MAPTSMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL2069324 0.86 SMN1; SMN2 (0.56) MAPTSMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL2069803 0.84 BCHE (0.54) MAPTSMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL330103 0.84 BCHE (0.57) MAPTSMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL2070396 0.83 MAPT (0.65) MAPTSMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL329814 0.82 XDH (0.55) MAPTSMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL2069266 0.81 MAPT (0.84) MAPTSMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL7509276 0.78 MAPT (0.58) MAPTSMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL2069068 0.77 MAPT (0.77) MAPTSMN1; SMN2KDM4EALDH1A1NPC1

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-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-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
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 (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 3761/4885SMN1; SMN2 3368/4885KDM4E 1806/4885
US-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF SHBG, OAT, APOB MAPT 3422/4885SMN1; SMN2 1044/4885KDM4E 3617/4885
US-20050143588-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 MAPT 3761/4885SMN1; SMN2 3368/4885KDM4E 1806/4885

“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.