SCHEMBL20299549

SCHEMBL20299549

CC(O)CC(=O)OCCC(C)OC(=O)CC(C)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.36
PRKCA P17252 1/20 0.35
FAAH O00519 4/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL4567207 1.00 CYP19A1 (0.36) CYP19A1PRKCAFAAHCNR1CNR2
SCHEMBL4567206 0.89 CYP19A1 (0.34) CYP19A1PRKCAMMP1MMP2MMP3
SCHEMBL26517483 0.88 MGAM (0.35) CYP19A1FAAHCNR1CNR2
SCHEMBL26517478 0.88 MGAM (0.35) CYP19A1FAAHCNR1CNR2
SCHEMBL25626538 0.86
SCHEMBL25465036 0.85 CYP19A1 (0.36) CYP19A1PRKCAMMP1MMP2MMP3
SCHEMBL22205224 0.84 CYP19A1 (0.40) CYP19A1ADRA2AADRA1ACHRNB2CHRNA4
SCHEMBL22205226 0.84 CYP19A1 (0.40) CYP19A1ADRA2AADRA1ACHRNB2CHRNA4
SCHEMBL21974553 0.84 CYP19A1 (0.40) CYP19A1ADRA2AADRA1ACHRNB2CHRNA4
SCHEMBL16053327 0.84 CYP19A1 (0.40) CYP19A1ADRA2AADRA1ACHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11890264-B2 Migraine prevention and treatment UNIVERSITATS-KINDERSPITAL BEIDER BASEL (CH) 2024-02-06 US claimed
US-20210338618-A1 MIGRAINE PREVENTION AND TREATMENT UNIVERSITATS-KINDERSPITAL BEIDER BASEL (CH) 2021-11-04 US claimed
US-20250275986-A1 COMBINATION OF A KETONE BODY OR KETOGENIC COMPOUND WITH AN ANALGESIC OR ANTIOXIDANT KETOSWISS AG (CH) 2025-09-04 US disclosed
US-12396974-B2 Ketone ester as a therapeutic treatment of Covid-19 and related viral infections KetoneAid (US) 2025-08-26 US disclosed
US-20250234904-A1 KETONE BEVERAGE CONTAINING CAFFEINE AND (R)-1,3-BUTANEDIOL AND/OR (R)-BETA-HYDROXYBUTYRIC ACID AND SALTS KETONEAID, INC 2025-07-24 US disclosed
EP-4373483-A1 COMBINATION OF A KETONE BODY OR KETOGENIC COMPOUND WITH AN ANALGESIC OR ANTIOXIDANT KetoSwiss AG (CH) 2024-05-29 EP disclosed
US-20240074459-A1 KETONE BEVERAGE CONTAINING A SLOW CARBOHYDRATE KETONEAID, INC. 2024-03-07 US disclosed
US-11890264-B2 Migraine prevention and treatment UNIVERSITATS-KINDERSPITAL BEIDER BASEL (CH) 2024-02-06 US disclosed
US-11786499-B2 Ketone body esters of S-beta-hydroxybutyrate and/or S-1,3-butanediol for modifying metabolic function AXCESS GLOBAL SCIENCES, LLC (US) 2023-10-17 US disclosed
US-11786499-B2 Ketone body esters of S-beta-hydroxybutyrate and/or S-1,3-butanediol for modifying metabolic function AXCESS GLOBAL SCIENCES, LLC (US) 2023-10-17 US disclosed
EP-4245368-A2 MIGRAINE PREVENTION AND TREATMENT Universitäts-kinderspital Beider Basel (CH) 2023-09-20 EP disclosed
US-11202769-B2 Ketone body esters of s-beta-hydroxybutyrate and/or s-1,3-butanediol for modifying metabolic function AXCESS GLOBAL SCIENCES, LLC (US) 2021-12-21 US disclosed
US-11166928-B2 Migraine prevention and treatment UNIVERSITATS-KINDERSPITAL BEIDER BASEL 2021-11-09 US disclosed
US-20210338618-A1 MIGRAINE PREVENTION AND TREATMENT UNIVERSITATS-KINDERSPITAL BEIDER BASEL (CH) 2021-11-04 US disclosed
US-20210338618-A1 MIGRAINE PREVENTION AND TREATMENT UNIVERSITATS-KINDERSPITAL BEIDER BASEL (CH) 2021-11-04 US disclosed
WO-2021195477-A1 KETONE ESTER AS A THERAPEUTIC TREATMENT OF COVID-19, LONG COVID, AND RELATED VIRAL INFECTIONS KETONEAID, INC. (US) 2021-09-30 WO disclosed
WO-2021195477-A1 KETONE ESTER AS A THERAPEUTIC TREATMENT OF COVID-19, LONG COVID, AND RELATED VIRAL INFECTIONS KETONEAID, INC. (US) 2021-09-30 WO disclosed
US-20210169831-A1 KETONE BODY ESTERS OF S-BETA-HYDROXYBUTYRATE AND/OR S-1,3-BUTANEDIOL FOR MODIFYING METABOLIC FUNCTION AXCESS GLOBAL SCIENCES, LLC 2021-06-10 US disclosed
EP-3558280-A1 MIGRAINE PREVENTION AND TREATMENT Universitäts-kinderspital Beider Basel (CH) 2019-10-30 EP disclosed
WO-2018115158-A1 MIGRAINE PREVENTION AND TREATMENT UNIVERSITÄTS-KINDERSPITAL BEIDER BASEL (CH) 2018-06-28 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-11786499-B2 Ketone body esters of S-beta-hydroxybutyrate and/or S-1,3-butanediol for modifying metabolic function HADHB, BCKDK, CPT1B CYP19A1 1169/4885PRKCA 1260/4885FAAH 538/4885
US-11202769-B2 Ketone body esters of s-beta-hydroxybutyrate and/or s-1,3-butanediol for modifying metabolic function HADHB, BCKDK, CPT1B CYP19A1 1169/4885PRKCA 1260/4885FAAH 538/4885
US-20210169831-A1 KETONE BODY ESTERS OF S-BETA-HYDROXYBUTYRATE AND/OR S-1,3-BUTANEDIOL FOR MODIFYING METABOLIC FUNCTION HADHB, BCKDK, CPT1B CYP19A1 1169/4885PRKCA 1260/4885FAAH 538/4885
US-20210338618-A1 MIGRAINE PREVENTION AND TREATMENT ACACA, ACACB, HBB CYP19A1 1327/4885PRKCA 1583/4885FAAH 12/4885
US-11166928-B2 Migraine prevention and treatment ACACA, ACACB, HBB CYP19A1 1327/4885PRKCA 1583/4885FAAH 12/4885
US-12396974-B2 Ketone ester as a therapeutic treatment of Covid-19 and related viral infections ACE, HSD17B13, IL1B CYP19A1 2315/4885PRKCA 546/4885FAAH 47/4885
US-11890264-B2 Migraine prevention and treatment ACACA, ACACB, HBB CYP19A1 1327/4885PRKCA 1583/4885FAAH 12/4885
US-20250275986-A1 COMBINATION OF A KETONE BODY OR KETOGENIC COMPOUND WITH AN ANALGESIC OR ANTIOXIDANT PKM, KCNMA1, KCNK18 CYP19A1 654/4885PRKCA 565/4885FAAH 45/4885

“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.