SCHEMBL431832

SCHEMBL431832

C[C@@H](O)CCOC(=O)C[C@@H](C)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.40
ADRA2A P08913 1/20 0.37
ADRA1A P35348 1/20 0.37
MAPT P10636 2/20 0.35
BLM P54132 1/20 0.35
CHRNB2 P17787 3/20 0.35
CHRNA4 P43681 3/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ACHE P22303 1/20 0.33
ALOX15 P16050 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
SCHEMBL21974553 1.00 CYP19A1 (0.40) CYP19A1ADRA2AADRA1AMAPTBLM
SCHEMBL195816 1.00 CYP19A1 (0.40) CYP19A1ADRA2AADRA1AMAPTBLM
SCHEMBL22205226 1.00 CYP19A1 (0.40) CYP19A1ADRA2AADRA1AMAPTBLM
SCHEMBL16053327 1.00 CYP19A1 (0.40) CYP19A1ADRA2AADRA1AMAPTBLM
SCHEMBL19899224 1.00 CYP19A1 (0.40) CYP19A1ADRA2AADRA1AMAPTBLM
SCHEMBL13147621 1.00 CYP19A1 (0.40) CYP19A1ADRA2AADRA1AMAPTBLM
SCHEMBL22205224 1.00 CYP19A1 (0.40) CYP19A1ADRA2AADRA1AMAPTBLM
Water SCHEMBL30296841 0.98 CYP19A1 (0.39) CYP19A1ADRA2AADRA1AMAPTBLM
Formaldehyde SCHEMBL26919435 0.96 CYP19A1 (0.38) CYP19A1ADRA2AADRA1AMAPTBLM
SCHEMBL25445590 0.89 CYP19A1 (0.50) CYP19A1ADRA2AADRA1AALDH1A1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4604743-A1 FORMULATED FOOD PRODUCTS VitaKey Inc. (US) 2025-08-27 EP claimed
EP-4566598-A1 COMPOSITIONS PROVIDING SGLT2I AND BHB ACTIVITY AND METHODS OF USE TO TREAT HUMAN DISEASE ZoSaLa Pharma, Inc (US) 2025-06-11 EP claimed
US-20250120425-A1 Combinations of Ketogenic Supplements for Rapid and Sustained Blood Ketone Levels in Dieters and Patients ZARPAS STEPHEN MICHAEL (US) 2025-04-17 US claimed
CN-119751253-A Continuous flow synthesis method of ketoester 苏州满元生物科技有限公司 2025-04-04 CN claimed
WO-2024086307-A1 FORMULATED FOOD PRODUCTS VITAKEY INC. (US) 2024-04-25 WO claimed
WO-2024086311-A1 FORMULATED TASTANT COMPOSITIONS VITAKEY INC. (US) 2024-04-25 WO claimed
WO-2024086306-A1 FORMULATED FOOD PRODUCTS VITAKEY INC. (US) 2024-04-25 WO claimed
US-20240074459-A1 KETONE BEVERAGE CONTAINING A SLOW CARBOHYDRATE KETONEAID, INC. 2024-03-07 US claimed
US-20230295672-A1 PROCESS FOR PRODUCING (R)-3-HYDROXYBUTYL (R)-3-HYDROXYBUTYRATE UNIV OXFORD INNOVATION LTD (GB) 2023-09-21 US claimed
US-20230157323-A1 KETONE BEVERAGE CONTAINING A SLOW CARBOHYDRATE KETONEAID, INC. 2023-05-25 US claimed
US-20230143566-A1 KETO ESTER COMPOSITIONS AND METHODS FOR USING SAME Operade LLC 2023-05-11 US claimed
US-20210015730-A1 COMPOUND FOR USE IN PROTECTING SKIN GOVERNMENT OF THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF OF HEALTH AND HUMAN SERVICES 2021-01-21 US claimed
US-20160030314-A1 COMPOUND FOR USE IN PROTECTING SKIN GOVERNMENT OF THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2016-02-04 US claimed
EP-2968091-A1 COMPOUND FOR USE IN PROTECTING SKIN Tdeltas Limited (GB) 2016-01-20 EP claimed
WO-2014139599-A1 COMPOUND FOR USE IN PROTECTING SKIN TDELTAS LIMITED (GB) 2014-09-18 WO claimed
CN-122079799-A Emodin modified amine curing agent, preparation method thereof, long-acting anti-corrosion coating based on body rust conversion, preparation method and application thereof 2026-05-26 CN disclosed
US-20260137645-A1 HIGHLY PURIFIED (R)-3’-HYDROXYBUTYL (R)-3’-HYDROXYBUTYRATE AND (R)-3-HYDROXYBUTYRATE AND COMBINATIONS WITH THERAPEUTICS Ketone Catalyst Innovations, LLC (US) 2026-05-21 US disclosed
WO-2010021766-A1 HYDROXYBUTYRATE ESTER AND MEDICAL USE THEREOF ISIS INNOVATION LIMITED (GB) 2010-02-25 WO disclosed
US-20080287372-A1 Use of Ketogenic Compounds for Treatment of Age-Associated Memory Impairment ACCERA, INC. (US) 2008-11-20 US disclosed
US-20080009467-A1 COMBINATIONS OF MEDIUM CHAIN TRIGLYCERIDES AND THERAPEUTIC AGENTS FOR THE TREATMENT AND PREVENTION OF ALZHEIMERS DISEASE AND OTHER DISEASES RESULTING FROM REDUCED NEURONAL METABOLISM ACCERA, INC. (US) 2008-01-10 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 (5 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-20230295672-A1 PROCESS FOR PRODUCING (R)-3-HYDROXYBUTYL (R)-3-HYDROXYBUTYRATE HCAR3, HSD17B12, HSD17B10 CYP19A1 697/4885ADRA2A 926/4885ADRA1A 866/4885
US-20080287372-A1 Use of Ketogenic Compounds for Treatment of Age-Associated Memory Impairment CPT1B, ACADM, ACAA2 CYP19A1 2006/4885ADRA2A 2002/4885ADRA1A 2038/4885
US-20230143566-A1 KETO ESTER COMPOSITIONS AND METHODS FOR USING SAME KHK, SI, MGAM CYP19A1 680/4885ADRA2A 3381/4885ADRA1A 2594/4885
US-20260137645-A1 HIGHLY PURIFIED (R)-3’-HYDROXYBUTYL (R)-3’-HYDROXYBUTYRATE AND (R)-3-HYDROXYBUTYRATE AND COMBINATIONS WITH THERAPEUTICS IL1B, HADHB, TNF CYP19A1 2464/4885ADRA2A 2468/4885ADRA1A 2206/4885
US-20080009467-A1 COMBINATIONS OF MEDIUM CHAIN TRIGLYCERIDES AND THERAPEUTIC AGENTS FOR THE TREATMENT AND PREVENTION OF ALZHEIMERS DISEASE AND OTHER DISEASES RESULTING FROM REDUCED NEURONAL METABOLISM ACHE, CHAT, BACE1 CYP19A1 2201/4885ADRA2A 71/4885ADRA1A 164/4885

“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.