SCHEMBL2069601

SCHEMBL2069601

COc1cccc(C2=Cc3ccc(OC(C)=O)cc3OC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
GAPDH P04406 2/20 0.48
NR1H4 Q96RI1 2/20 0.47
MTNR1A P48039 1/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
PTGS2 P35354 1/20 0.43
RARA P10276 2/20 0.42
RARB P10826 2/20 0.42
RARG P13631 2/20 0.42
HIF1A Q16665 1/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL2070579 0.95 MAPT (0.46) ALOX5GAPDHNR1H4ALDH1A1SMN1; SMN2
SCHEMBL2069736 0.88 ALOX5 (0.51) ALOX5NR1H4MTNR1AALDH1A1SMN1; SMN2
SCHEMBL2070069 0.87 MAPT (0.50) ALOX5ALDH1A1SMN1; SMN2MAPTRARA
SCHEMBL2071380 0.84 RARA (0.48) ALOX5GAPDHNR1H4ALDH1A1SMN1; SMN2
SCHEMBL4291569 0.84 KMT2A (0.53) ALOX5NR1H4ALDH1A1SMN1; SMN2MAPT
SCHEMBL2072026 0.83 KMT2A (0.49) ALOX5NR1H4ALDH1A1SMN1; SMN2MAPT
SCHEMBL614571 0.82 NR1H4 (0.51) ALOX5NR1H4MAPTRARARARB
SCHEMBL4287708 0.80 RARA (0.45) ALOX5GAPDHNR1H4ALDH1A1SMN1; SMN2
SCHEMBL2071503 0.77 PTGS2 (0.41) GAPDHALDH1A1SMN1; SMN2MAPTPTGS2
SCHEMBL20259491 0.77 ALOX5 (0.47) ALOX5NR1H4MTNR1AALDH1A1SMN1; SMN2

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-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 ALOX5 1542/4885GAPDH 1278/4885NR1H4 1999/4885
US-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF SHBG, OAT, APOB ALOX5 742/4885GAPDH 497/4885NR1H4 576/4885
US-20050143588-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 ALOX5 1542/4885GAPDH 1278/4885NR1H4 1999/4885

“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.