SCHEMBL2071503

SCHEMBL2071503

CC(=O)Oc1cccc(C2=Cc3ccc(OC(C)=O)c(C)c3OC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
MAOB P27338 1/20 0.40
GAPDH P04406 2/20 0.40
ADORA2A P29274 1/20 0.39
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
FPR1 P21462 2/20 0.36
ACHE P22303 2/20 0.36
NR3C2 P08235 1/20 0.35
GBA1 P04062 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
GLA P06280 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4287462 0.87 GBA1 (0.38) PTGS2MAPTALDH1A1LMNAADORA2A
SCHEMBL2069364 0.86 GBA1 (0.39) PTGS2LMNAMAOBGAPDHNR3C2
SCHEMBL2069685 0.83 RARA (0.42) PTGS2ALDH1A1GAPDHMEN1KMT2A
SCHEMBL4295886 0.83 RARA (0.42) PTGS2ALDH1A1CYP3A4SMN1; SMN2KDM4E
SCHEMBL2069120 0.82 BACE1 (0.45) PTGS2MAPTALDH1A1LMNACYP3A4
SCHEMBL2070579 0.81 MAPT (0.46) PTGS2MAPTALDH1A1LMNAMAOB
SCHEMBL2069601 0.77 ALOX5 (0.50) PTGS2MAPTALDH1A1GAPDHTDP1
SCHEMBL2069109 0.74 ADORA3 (0.45) PTGS2MAPTLMNAGAPDHTDP1
SCHEMBL4294732 0.74 ADORA3 (0.37) PTGS2MAPTLMNAMAOBGAPDH
SCHEMBL2070069 0.72 MAPT (0.50) MAPTALDH1A1LMNATDP1SMN1; 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 12 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
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
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 PTGS2 314/4885MAPT 3761/4885ALDH1A1 2979/4885
US-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF SHBG, OAT, APOB PTGS2 440/4885MAPT 3422/4885ALDH1A1 3385/4885
US-20050143588-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 PTGS2 314/4885MAPT 3761/4885ALDH1A1 2979/4885

“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.