SCHEMBL2069145

SCHEMBL2069145

COc1ccc(-c2coc3cc(OC(C)=O)ccc3c2=O)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.80
MAPT P10636 8/20 0.80
SMN1; SMN2 Q16637 8/20 0.80
NPC1 O15118 8/20 0.80
ALDH1A1 P00352 6/20 0.80
KDM4E B2RXH2 4/20 0.80
MEN1 O00255 6/20 0.73
KMT2A Q03164 6/20 0.73
MAPK1 P28482 4/20 0.73
LMNA P02545 2/20 0.73
TSHR P16473 2/20 0.73
TP53 P04637 4/20 0.71
CYP3A4 P08684 3/20 0.71
HSD17B10 Q99714 3/20 0.71
HPGD P15428 2/20 0.71
MAOA P21397 2/20 0.71
MAOB P27338 2/20 0.71
HDAC6 Q9UBN7 2/20 0.71
CYP2D6 P10635 2/20 0.71
CYP2C9 P11712 2/20 0.71

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
SCHEMBL1724568 0.94 MAPT (0.85) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL10338453 0.90 KDM4E (0.80) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL12238020 0.90 RAB9A (0.80) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL4434901 0.89 RAB9A (0.78) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL12289030 0.89 RAB9A (0.78) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL2070406 0.89 NPC1 (1.00) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL1038112 0.88 MAPT (0.78) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL7499952 0.88 MAPT (0.77) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL2069068 0.88 MAPT (0.77) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL571576 0.88 XDH (0.84) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1

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 12 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
EP-1153020-A4 PRODUCTION OF ISOFLAVONE DERIVATIVES NOVOGEN RES PTY LTD (AU) 2002-08-21 EP claimed
EP-1153020-A1 PRODUCTION OF ISOFLAVONE DERIVATIVES Novogen Research Pty. Ltd. (AU) 2001-11-14 EP claimed
WO-2000049009-A1 PRODUCTION OF ISOFLAVONE DERIVATIVES NOVOGEN RESEARCH PTY. LTD. (AU) 2000-08-24 WO claimed
CN-113512018-B Flavonoid compound and preparation method and application thereof 合肥工业大学 2023-07-18 CN disclosed
CN-113512018-A Flavonoid compound and preparation method and application thereof 合肥工业大学 2021-10-19 CN disclosed
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 RAB9A 3050/4885MAPT 3761/4885SMN1; SMN2 3368/4885
US-20050143588-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 RAB9A 3050/4885MAPT 3761/4885SMN1; SMN2 3368/4885

“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.