SCHEMBL12254992

SCHEMBL12254992

OC1=C(c2ccc(O)cc2)COc2cc(O)cc(O)c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.50
ESR2 Q92731 8/20 0.50
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
CYP19A1 P11511 4/20 0.38
CYP3A4 P08684 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SLCO2B1 O94956 2/20 0.38
TTR P02766 2/20 0.38
CYP1A1 P04798 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
HSD17B1 P14061 2/20 0.38
AKR1B1 P15121 2/20 0.38
DPP4 P27487 2/20 0.38
PSMB5 P28074 2/20 0.38
CYP2C19 P33261 2/20 0.38
ABCC1 P33527 2/20 0.38
GSK3B P49841 2/20 0.38

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
SCHEMBL12254998 0.77 ESR2 (0.47) ESR1ESR2MAOAMAOBCYP19A1
SCHEMBL3415086 0.75 MAOA (0.45) ESR1ESR2MAOAMAOBCYP19A1
SCHEMBL13090322 0.75 ALOX12 (0.44) ESR1ESR2GSK3BALOX12SIRT1
SCHEMBL1428288 0.68 ALDH1A1 (0.53) ESR1ESR2MAOAMAOBCYP19A1
SCHEMBL31270617 0.68 ESR2 (0.50) ESR1ESR2MAOAMAOBCYP19A1
SCHEMBL614132 0.68 ESR2 (0.50) ESR1ESR2MAOAMAOBCYP19A1
SCHEMBL12023218 0.68 ESR2 (0.45) ESR1ESR2MAOAMAOBCYP3A4
SCHEMBL5890294 0.68 NQO1 (0.62) ESR1ESR2CYP3A4MEN1KMT2A
SCHEMBL5712617 0.67 MMP3 (0.47) ESR1ESR2MEN1KMT2AHSD17B1
SCHEMBL31545406 0.67 MAPT (0.50) ESR1ESR2MAOAMAOBCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11559510-B2 Isoflavonoid composition with improved pharmacokinetics NOXOPHARM LIMITED (AU) 2023-01-24 US disclosed
US-11229703-B2 Radiotherapy improvements NOXOPHARM LIMITED (AU) 2022-01-25 US disclosed
EP-3939583-A1 IMPROVEMENTS IN CANCER TREATMENT WITH ISOFLAVONOIDS Noxopharm Limited (AU) 2022-01-19 EP disclosed
US-20210338576-A1 CANCER TREATMENT NOXOPHARM LIMITED (AU) 2021-11-04 US disclosed
US-20210275493-A1 IMMUNO-ONCOLOGY THERAPY USING ISOFLAVONE COMPOUNDS NOXOPHARM LIMITED (AU) 2021-09-09 US disclosed
US-20190282540-A1 TARGETED DRUG DELIVERY NOXOPHARM LIMITED (AU) 2019-09-19 US disclosed
US-20190262451-A1 RADIOTHERAPY IMPROVEMENTS NOXOPHARM LIMITED (AU) 2019-08-29 US disclosed
US-20190160004-A1 IMPROVEMENTS IN CANCER TREATMENT NOXOPHARM LIMITED (AU) 2019-05-30 US disclosed
US-20190117618-A1 ISOFLAVONOID COMPOSITION WITH IMPROVED PHARMACOKINETICS NOXOPHARM LIMITED (AU) 2019-04-25 US disclosed
US-20190117620-A1 CHEMOTHERAPY IMPROVEMENTS NOXOPHARM LIMITED (AU) 2019-04-25 US disclosed
US-20110212989-A1 THERAPEUTIC METHODS AND COMPOSITIONS INVOLVING ISOFLAVONES NOVOGEN RESEARCH PTY LTD (AU) 2011-09-01 US disclosed
US-20110212989-A1 THERAPEUTIC METHODS AND COMPOSITIONS INVOLVING ISOFLAVONES NOVOGEN RESEARCH PTY LTD (AU) 2011-09-01 US disclosed
US-7915308-B2 Therapeutic methods and compositions involving isoflavones NOVOGEN RESEARCH PTY LTD (AU) 2011-03-29 US disclosed
US-7915308-B2 Therapeutic methods and compositions involving isoflavones NOVOGEN RESEARCH PTY LTD (AU) 2011-03-29 US disclosed
US-20080287528-A1 THERAPEUTIC METHODS AND COMPOSITIONS INVOLVING ISOFLAVONES NOVOGEN RESEARCH PTY LIMITED (AU) 2008-11-20 US disclosed
US-20080287528-A1 THERAPEUTIC METHODS AND COMPOSITIONS INVOLVING ISOFLAVONES NOVOGEN RESEARCH PTY LIMITED (AU) 2008-11-20 US disclosed
US-7419998-B2 Therapeutic methods and compositions involving isoflavones NOVOGEN RESEARCH PTY LTD (AU) 2008-09-02 US disclosed
US-7419998-B2 Therapeutic methods and compositions involving isoflavones NOVOGEN RESEARCH PTY LTD (AU) 2008-09-02 US disclosed
US-7202273-B2 Therapeutic methods and compositions involving isoflavones NOVOGEN RESEARCH PTY LTD (AU) 2007-04-10 US disclosed
US-7202273-B2 Therapeutic methods and compositions involving isoflavones NOVOGEN RESEARCH PTY LTD (AU) 2007-04-10 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 (11 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-20190282540-A1 TARGETED DRUG DELIVERY NTRK1, SI, TIE1 ESR1 768/4885ESR2 325/4885MAOA 1807/4885
US-20190117620-A1 CHEMOTHERAPY IMPROVEMENTS TP53, GSTA1, TOP2B ESR1 438/4885ESR2 355/4885MAOA 3164/4885
US-11559510-B2 Isoflavonoid composition with improved pharmacokinetics SI, CYP51A1, CYP19A1 ESR1 166/4885ESR2 137/4885MAOA 1810/4885
US-20190160004-A1 IMPROVEMENTS IN CANCER TREATMENT TP53, HIF1AN, BRCA1 ESR1 122/4885ESR2 39/4885MAOA 4247/4885
US-20110212989-A1 THERAPEUTIC METHODS AND COMPOSITIONS INVOLVING ISOFLAVONES C1R, C1S, ESRRA ESR1 96/4885ESR2 107/4885MAOA 1673/4885
US-20210275493-A1 IMMUNO-ONCOLOGY THERAPY USING ISOFLAVONE COMPOUNDS IKZF1, IFNG, IL2 ESR1 122/4885ESR2 121/4885MAOA 4292/4885
US-20190262451-A1 RADIOTHERAPY IMPROVEMENTS MRE11, TP53, CHEK2 ESR1 609/4885ESR2 258/4885MAOA 4377/4885
US-20080287528-A1 THERAPEUTIC METHODS AND COMPOSITIONS INVOLVING ISOFLAVONES C1R, ESRRA, ESRRB ESR1 80/4885ESR2 83/4885MAOA 1619/4885
US-20210338576-A1 CANCER TREATMENT TP53, HIF1AN, HIF1A ESR1 77/4885ESR2 27/4885MAOA 3896/4885
US-20190117618-A1 ISOFLAVONOID COMPOSITION WITH IMPROVED PHARMACOKINETICS SI, CYP51A1, CYP19A1 ESR1 166/4885ESR2 137/4885MAOA 1810/4885
US-11229703-B2 Radiotherapy improvements MRE11, TP53, CHEK2 ESR1 609/4885ESR2 258/4885MAOA 4377/4885

“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.