SCHEMBL2070396

SCHEMBL2070396

COc1ccc(-c2coc3c(C)c(OC(C)=O)ccc3c2=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.65
ALDH1A1 P00352 6/20 0.65
KMT2A Q03164 6/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
MEN1 O00255 5/20 0.65
CYP3A4 P08684 4/20 0.65
TP53 P04637 3/20 0.65
LMNA P02545 3/20 0.65
THRB P10828 1/20 0.65
KDM4E B2RXH2 5/20 0.59
HSD17B10 Q99714 2/20 0.59
RAB9A P51151 5/20 0.52
NPC1 O15118 3/20 0.52
BACE1 P56817 1/20 0.51
BCL2 P10415 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51

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
SCHEMBL2069324 0.94 SMN1; SMN2 (0.56) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL7509276 0.94 MAPT (0.58) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL7498444 0.88 MAPT (0.65) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL2072031 0.88 MAPT (0.65) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL329814 0.88 XDH (0.55) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL2069803 0.87 BCHE (0.54) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL330103 0.87 BCHE (0.57) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL7500266 0.87 MAPT (0.51) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL4300808 0.87 MAPT (0.61) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL30903587 0.85 CYP3A4 (0.56) MAPTALDH1A1KMT2ASMN1; SMN2MEN1

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 7 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-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 MAPT 3761/4885ALDH1A1 2979/4885KMT2A 2984/4885
US-20050143588-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 MAPT 3761/4885ALDH1A1 2979/4885KMT2A 2984/4885

“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.