SCHEMBL10098033

SCHEMBL10098033

COc1ccc([C@H]2c3ccc(O)cc3OC[C@H]2c2ccc(O)cc2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.46
ESR2 Q92731 6/20 0.46
KDM1A O60341 2/20 0.44
CYP3A4 P08684 2/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
TTR P02766 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL15954349 1.00 ESR1 (0.46) ESR1ESR2KDM1ACYP3A4MAOA
SCHEMBL30362821 1.00 ESR1 (0.46) ESR1ESR2KDM1ACYP3A4MAOA
SCHEMBL2717911 1.00 ESR1 (0.46) ESR1ESR2KDM1ACYP3A4MAOA
SCHEMBL10073997 0.87 MEN1 (0.49) ESR1ESR2CYP3A4MAOAMAOB
SCHEMBL30362919 0.87 MEN1 (0.49) ESR1ESR2CYP3A4MAOAMAOB
SCHEMBL2719223 0.87 MEN1 (0.49) ESR1ESR2CYP3A4MAOAMAOB
SCHEMBL18898168 0.87 MEN1 (0.49) ESR1ESR2CYP3A4MAOAMAOB
SCHEMBL15312297 0.87 MEN1 (0.49) ESR1ESR2CYP3A4MAOAMAOB
SCHEMBL16999928 0.84 CYP3A4 (0.45) ESR1ESR2CYP3A4
SCHEMBL16993473 0.84 CYP3A4 (0.44) ESR1ESR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230372287-A1 ISOFLAVONOID COMPOUNDS AND METHODS FOR THE TREATMENT OF CANCER Aardvark Therapeutics, Inc. 2023-11-23 US disclosed
US-20230372287-A1 ISOFLAVONOID COMPOUNDS AND METHODS FOR THE TREATMENT OF CANCER Aardvark Therapeutics, Inc. 2023-11-23 US disclosed
US-20230233519-A1 COMBINATION THERAPIES Aardvark Therapeutics, Inc. 2023-07-27 US disclosed
US-20230233519-A1 COMBINATION THERAPIES Aardvark Therapeutics, Inc. 2023-07-27 US disclosed
US-20230145478-A1 ISOFLAVONOID COMPOUNDS AND METHODS FOR THE TREATMENT OF CANCER MEI PHARMA, INC. 2023-05-11 US disclosed
US-20230145478-A1 ISOFLAVONOID COMPOUNDS AND METHODS FOR THE TREATMENT OF CANCER MEI PHARMA, INC. 2023-05-11 US disclosed
US-11583514-B2 Isoflavonoid compounds and methods for the treatment of cancer MEI PHARMA, INC. (US) 2023-02-21 US disclosed
WO-2021252776-A1 COMBINATION THERAPIES MEI PHARMA, INC. (US) 2021-12-16 WO disclosed
US-20210000790-A1 ISOFLAVONOID COMPOUNDS AND METHODS FOR THE TREATMENT OF CANCER Aardvark Therapeutics, Inc. 2021-01-07 US disclosed
US-20190142790-A1 ISOFLAVONOID COMPOUNDS AND METHODS FOR THE TREATMENT OF CANCER MARSHALL EDWARDS, INC. 2019-05-16 US disclosed
US-20170246142-A1 ISOFLAVONOID COMPOUNDS AND METHODS FOR THE TREATMENT OF CANCER Aardvark Therapeutics, Inc. 2017-08-31 US disclosed
US-20170246142-A1 ISOFLAVONOID COMPOUNDS AND METHODS FOR THE TREATMENT OF CANCER Aardvark Therapeutics, Inc. 2017-08-31 US disclosed
US-9663484-B2 Isoflavonoid compounds and methods for the treatment of cancer MEI PHARMA, INC. (US) 2017-05-30 US disclosed
US-9663484-B2 Isoflavonoid compounds and methods for the treatment of cancer MEI PHARMA, INC. (US) 2017-05-30 US disclosed
US-20140234295-A1 ISOFLAVONOID COMPOUNDS AND METHODS FOR THE TREATMENT OF CANCER MARSHALL EDWARDS, INC. (US) 2014-08-21 US disclosed
US-20140234295-A1 ISOFLAVONOID COMPOUNDS AND METHODS FOR THE TREATMENT OF CANCER MARSHALL EDWARDS, INC. (US) 2014-08-21 US disclosed
WO-2012061409-A1 ISOFLAVONOID COMPOUNDS AND METHODS FOR THE TREATMENT OF CANCER MARSHALL EDWARDS, INC. (US) 2012-05-10 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 (8 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-20210000790-A1 ISOFLAVONOID COMPOUNDS AND METHODS FOR THE TREATMENT OF CANCER BAX, CASP3, API5 ESR1 57/4885ESR2 22/4885KDM1A 3345/4885
US-20230145478-A1 ISOFLAVONOID COMPOUNDS AND METHODS FOR THE TREATMENT OF CANCER BAX, CASP3, API5 ESR1 57/4885ESR2 22/4885KDM1A 3345/4885
US-20230233519-A1 COMBINATION THERAPIES BCL2, BAK1, BCL2L2 ESR1 3784/4885ESR2 2187/4885KDM1A 2264/4885
US-20190142790-A1 ISOFLAVONOID COMPOUNDS AND METHODS FOR THE TREATMENT OF CANCER BAX, CASP3, API5 ESR1 57/4885ESR2 22/4885KDM1A 3345/4885
US-11583514-B2 Isoflavonoid compounds and methods for the treatment of cancer BAX, CASP3, API5 ESR1 57/4885ESR2 22/4885KDM1A 3345/4885
US-20140234295-A1 ISOFLAVONOID COMPOUNDS AND METHODS FOR THE TREATMENT OF CANCER BAX, CASP3, API5 ESR1 57/4885ESR2 22/4885KDM1A 3345/4885
US-20230372287-A1 ISOFLAVONOID COMPOUNDS AND METHODS FOR THE TREATMENT OF CANCER BAX, CASP3, API5 ESR1 57/4885ESR2 22/4885KDM1A 3345/4885
US-20170246142-A1 ISOFLAVONOID COMPOUNDS AND METHODS FOR THE TREATMENT OF CANCER BAX, CASP3, API5 ESR1 57/4885ESR2 22/4885KDM1A 3345/4885

“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.