SCHEMBL2349506

SCHEMBL2349506

Cc1ccc(-c2coc3cc(O)ccc3c2=O)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.83
ALDH1A1 P00352 5/20 0.83
HSD17B10 Q99714 5/20 0.83
NPC1 O15118 5/20 0.83
RAB9A P51151 5/20 0.83
SMN1; SMN2 Q16637 4/20 0.83
HPGD P15428 4/20 0.83
MAPT P10636 4/20 0.83
MAOA P21397 4/20 0.83
MAOB P27338 4/20 0.83
TP53 P04637 3/20 0.83
ALDH2 P05091 3/20 0.83
CYP3A4 P08684 2/20 0.83
CYP2D6 P10635 2/20 0.83
CYP2C9 P11712 2/20 0.83
CYP2C19 P33261 2/20 0.83
HDAC6 Q9UBN7 2/20 0.83
CA12 O43570 2/20 0.83
AKR1B10 O60218 1/20 0.83
LMNA P02545 1/20 0.83

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
SCHEMBL12892699 0.91 ALDH2 (0.78) KDM4EALDH1A1HSD17B10NPC1RAB9A
Daidzein SCHEMBL21114371 0.91 KDM4E (1.00) KDM4EALDH1A1HSD17B10NPC1RAB9A
Daidzein SCHEMBL19814 0.91 KDM4E (1.00) KDM4EALDH1A1HSD17B10NPC1RAB9A
Daidzein SCHEMBL29374778 0.91 KDM4E (1.00) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL13640741 0.88 KDM4E (0.62) KDM4EALDH1A1HSD17B10NPC1RAB9A
Daidzein SCHEMBL19410270 0.87 KDM4E (0.86) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL18235037 0.86 KDM4E (0.74) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL2549643 0.85 KDM4E (0.83) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL4683689 0.85 KDM4E (1.00) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL12289059 0.85 KDM4E (0.83) KDM4EALDH1A1HSD17B10NPC1RAB9A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047420-B2 MODULATION OF HAIR GROWTH GILLETTE CO (US) 2011-08-24 EP claimed
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-20230200388-A1 COMPOUNDS AND METHODS FOR STIMULATING PLANTS Sound Agriculture Company (US) 2023-06-29 US disclosed
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 US disclosed
CN-109400568-B 7-aryloxy acetoxyl isoflavone derivative and application thereof in pesticides 江苏大学 2022-10-25 CN disclosed
CN-107935928-B Total diphenylpyrazole and preparation method and application thereof 鲁东大学 2021-05-25 CN disclosed
US-20160317597-A1 BEAN LEAVES OR BEAN STEMS HAVING HIGH ISOFLAVONE DERIVATIVES CONTENT AND METHOD FOR PREPARING SAME INDUSTRY-ACADEMIC COOPERATION FOUNDATION GYEONGSANG NATIONAL UNIVERSITY (KR) 2016-11-03 US disclosed
US-9408826-B2 Isoflavone anti-viral compounds Kineta, Inc. (US) 2016-08-09 US disclosed
US-9408826-B2 Isoflavone anti-viral compounds Kineta, Inc. (US) 2016-08-09 US disclosed
US-8680140-B2 Phytoestrogenic formulations for alleviation or prevention of menopausal symptoms UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2014-03-25 US disclosed
US-20110262482-A1 ANTI-VIRAL COMPOUNDS Kineta, Inc. (US) 2011-10-27 US disclosed
US-20110262482-A1 ANTI-VIRAL COMPOUNDS Kineta, Inc. (US) 2011-10-27 US disclosed
US-7875735-B2 such as haginin E, equol, daidzein, formononetin; dealkylation, hydroboration, oxidation in presence of base, oxidation-dehydrogenation using 2,3-dichloro-5,6-dicyanobenzoquinone, and deprotecting KAOHSIUNG MEDICAL UNIVERSITY (TW) 2011-01-25 US disclosed
US-20100298581-A1 Processes for Preparing Isoflavonoids using 7-benzyloxy-3-(4-methoxyphenyl)-2H-1-benzopyran as a Starting Material KAOHSIUNG MEDICAL UNIVERSITY (TW) 2010-11-25 US disclosed
US-20100113586-A1 PHYTOESTROGENIC FORMULATIONS FOR ALLEVIATION OR PREVENTION OF MENOPAUSAL SYMPTOMS UNIVERSITY OF SOUTHERN CALIFORNIA 2010-05-06 US disclosed
EP-1542675-A4 COMPOUNDS USEFUL FOR THE INHIBITION OF ALDH ENDOWMENT FOR RES IN HUMAN BIO (US) 2008-11-19 EP disclosed
US-7368434-B2 Compounds useful for the inhibition of ALDH THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 2008-05-06 US disclosed
EP-1542675-A1 COMPOUNDS USEFUL FOR THE INHIBITION OF ALDH The Endowment For Research In Human Biology, Inc. (US) 2005-06-22 EP disclosed
US-20040068003-A1 Compounds useful for the inhibition of ALDH THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC, 2004-04-08 US disclosed
WO-2004002470-A1 COMPOUNDS USEFUL FOR THE INHIBITION OF ALDH THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 2004-01-08 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-20160317597-A1 BEAN LEAVES OR BEAN STEMS HAVING HIGH ISOFLAVONE DERIVATIVES CONTENT AND METHOD FOR PREPARING SAME ESR1, ECE2, ECE1 KDM4E 1103/4885ALDH1A1 2732/4885HSD17B10 1442/4885
US-20110262482-A1 ANTI-VIRAL COMPOUNDS MAVS, EIF2AK2, IRF3 KDM4E 2601/4885ALDH1A1 3477/4885HSD17B10 4165/4885
US-20100298581-A1 Processes for Preparing Isoflavonoids using 7-benzyloxy-3-(4-methoxyphenyl)-2H-1-benzopyran as a Starting Material EGLN2, HABP2, CYP8B1 KDM4E 1268/4885ALDH1A1 3364/4885HSD17B10 275/4885
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS KDM4E 2788/4885ALDH1A1 1238/4885HSD17B10 527/4885
US-20100113586-A1 PHYTOESTROGENIC FORMULATIONS FOR ALLEVIATION OR PREVENTION OF MENOPAUSAL SYMPTOMS ESR1, GPER1, SHBG KDM4E 2421/4885ALDH1A1 3858/4885HSD17B10 2855/4885
US-20230200388-A1 COMPOUNDS AND METHODS FOR STIMULATING PLANTS SNRK, GRK1, PPIP5K2 KDM4E 4438/4885ALDH1A1 4111/4885HSD17B10 2779/4885
US-20040068003-A1 Compounds useful for the inhibition of ALDH ALDH2, ALDH1A1, ALDH3A1 KDM4E 1630/4885ALDH1A1 2/4885HSD17B10 41/4885
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF ERBB2, ACP1, TK1 KDM4E 2301/4885ALDH1A1 2221/4885HSD17B10 3033/4885

“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.