SCHEMBL4295886

SCHEMBL4295886

COc1ccc(C2=Cc3ccc(OC(C)=O)c(C)c3OC2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.42
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42
PTGS2 P35354 1/20 0.41
CYP19A1 P11511 3/20 0.39
TSHR P16473 1/20 0.39
TP53 P04637 1/20 0.38
MIF P14174 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
PDE4A P27815 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2069685 0.98 RARA (0.42) RARARARBRARGPTGS2CYP19A1
SCHEMBL2069120 0.87 BACE1 (0.45) RARARARBRARGPTGS2CYP19A1
SCHEMBL2069364 0.85 GBA1 (0.39) RARARARBRARGPTGS2TSHR
SCHEMBL614015 0.83 PTGS2 (0.44) RARARARBRARGPTGS2CYP19A1
SCHEMBL4287462 0.83 GBA1 (0.38) RARARARBRARGPTGS2TSHR
SCHEMBL2071503 0.83 PTGS2 (0.41) PTGS2KDM4EALDH1A1KMT2AMEN1
SCHEMBL4291569 0.81 KMT2A (0.53) RARARARBRARGPTGS2CYP19A1
SCHEMBL2072026 0.80 KMT2A (0.49) RARARARBRARGPTGS2CYP19A1
SCHEMBL6093329 0.76 BACE1 (0.45) RARARARBRARGPTGS2TP53
SCHEMBL2069109 0.73 ADORA3 (0.45) RARARARBRARGPTGS2KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF NOVOGEN RESEARCH PTY LTD (AU) 2009-09-17 US 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 (1 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-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF SHBG, OAT, APOB RARA 2668/4885RARB 2101/4885RARG 1604/4885

“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.