SCHEMBL4294732

SCHEMBL4294732

CC(=O)Oc1ccc(C2=Cc3ccc(OC(C)=O)c(Br)c3OC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.37
PTGS2 P35354 2/20 0.37
HSD17B10 Q99714 1/20 0.37
PREP P48147 1/20 0.37
CFD P00746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RARA P10276 2/20 0.35
RARB P10826 2/20 0.35
RARG P13631 2/20 0.35
LMNA P02545 2/20 0.35
BACE1 P56817 1/20 0.35
GLA P06280 1/20 0.35
GAPDH P04406 2/20 0.34
ESR1 P03372 1/20 0.34
PGR P06401 1/20 0.34
CHRM2 P08172 1/20 0.34
AR P10275 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 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
SCHEMBL2069364 0.87 GBA1 (0.39) ADORA3PTGS2HSD17B10PREPCFD
SCHEMBL2069109 0.87 ADORA3 (0.45) ADORA3PTGS2HSD17B10PREPCFD
SCHEMBL6093329 0.80 BACE1 (0.45) ADORA3PTGS2HSD17B10PREPKDM4E
SCHEMBL2069120 0.80 BACE1 (0.45) PTGS2HSD17B10KDM4ERARARARB
SCHEMBL2071380 0.77 RARA (0.48) PTGS2HSD17B10RARARARBRARG
SCHEMBL4287462 0.76 GBA1 (0.38) ADORA3PTGS2HSD17B10CFDKDM4E
SCHEMBL4287708 0.76 RARA (0.45) HSD17B10RARARARBRARGLMNA
SCHEMBL2071503 0.74 PTGS2 (0.41) PTGS2KDM4ELMNAGLAGAPDH
SCHEMBL2069685 0.72 RARA (0.42) PTGS2RARARARBRARGGAPDH
SCHEMBL4295886 0.72 RARA (0.42) PTGS2HSD17B10KDM4ERARARARB

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 ADORA3 4693/4885PTGS2 440/4885HSD17B10 396/4885

“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.