SCHEMBL10073585

SCHEMBL10073585

CCOC(=O)CNCc1cc2c(cc1O)OCC(c1ccc(O)cc1)=C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.37
EGFR P00533 2/20 0.37
ALOX5 P09917 1/20 0.37
TP53 P04637 2/20 0.35
NPC1 O15118 1/20 0.35
GLA P06280 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
BRCA1 P38398 1/20 0.35
GAA P10253 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
RARA P10276 2/20 0.32
RARG P13631 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL3232102 0.91 MIF (0.38) MIFEGFRTP53PDCD1CD274
SCHEMBL2755028 0.72 TYR (0.34) ALDH1A1KDM4EGAARARARARG
SCHEMBL677785 0.71 ESR2 (0.42) ALOX5RARARARGRARB
SCHEMBL4408650 0.68 RARA (0.40) GAARARARARGRARBHDAC6
SCHEMBL28055648 0.66 CA12 (0.57) MIFEGFRTP53ALDH1A1KDM4E
SCHEMBL2755031 0.65 CYP1A2 (0.43) TSHRPDCD1CD274MAPK1
SCHEMBL6240662 0.65 TSHR (0.55) KDM4ETSHRHSD17B10MAPT
SCHEMBL2755032 0.65 ALOX5 (0.40) ALOX5ALDH1A1KDM4EGAAHSD17B10
Idronoxil SCHEMBL149612 0.64 ESR2 (0.49) MIFRARARARGRARB
Idronoxil SCHEMBL29353213 0.64 ESR2 (0.49) MIFRARARARGRARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120003270-A1 6-SUBSTITUTED ISOFLAVONOID COMPOUNDS AND USES THEREOF MARSHALL EDWARDS, INC. 2012-01-05 US disclosed
WO-2010012037-A1 6-SUBSTITUTED ISOFLAVONOID COMPOUNDS AND USES THEREOF NOVOGEN RESEARCH PTY LTD (AU) 2010-02-04 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 (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-20120003270-A1 6-SUBSTITUTED ISOFLAVONOID COMPOUNDS AND USES THEREOF UGT1A6, CYP19A1, HSD17B11 MIF 2077/4885EGFR 459/4885ALOX5 727/4885

“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.