SCHEMBL446027

SCHEMBL446027

CCCC(O)C(O)(CC)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 1/20 0.40
BLM P54132 1/20 0.40
HSPE1 P61604 1/20 0.40
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CPT2 P23786 1/20 0.38
ACLY P53396 1/20 0.38
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL16467958 0.82 TSHR (0.40) HSPD1BLMHSPE1CPT2ACLY
SCHEMBL17239649 0.82 HSPD1 (0.44) HSPD1BLMHSPE1CHRM1AKR1A1
SCHEMBL18725609 0.78 HSPD1 (0.40) HSPD1BLMHSPE1CHRM1AKR1A1
SCHEMBL27574484 0.77 FFAR4 (0.51) HSPD1BLMHSPE1TDP1MEN1
SCHEMBL2065137 0.77 CHRM1 (0.42) HSPD1BLMHSPE1CHRM1AKR1A1
SCHEMBL28094738 0.76 CHRM1 (0.41) HSPD1BLMHSPE1CHRM1AKR1A1
SCHEMBL14777774 0.76 CHRM1 (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL10535147 0.75 CPT2 (0.41) HSPD1BLMHSPE1CPT2ACLY
SCHEMBL10535133 0.75 CPT2 (0.41) HSPD1BLMHSPE1CPT2ACLY
SCHEMBL260454 0.75 CPT2 (0.41) HSPD1BLMHSPE1CPT2ACLY

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-20120064611-A1 Process For The Preparation of (3R)-Hydroxybutyl (3R) -Hydroxybutyrate By Enzymatic Enantioselective Reduction Employing Lactobacillus Brevis Alcohol Dehydrogenase OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2012-03-15 US claimed
EP-2419519-A1 PROCESS FOR THE PREPARATION OF (3R)-HYDR0XYBUTYL (3R) -HYDROXYBUTYRATE BY ENZYMATIC ENANTIOSELECTIVE REDUCTION EMPLOYING LACTOBACILLUS BREVIS ALCOHOL DEHYDROGENASE Isis Innovation Limited (GB) 2012-02-22 EP claimed
US-20110237666-A1 HYDROXYBUTYRATE ESTER AND MEDICAL USE THEREOF ISIS INNOVATION LIMITED (GB) 2011-09-29 US claimed
US-12577591-B2 Microorganisms and methods for increasing co-factors GENOMATICA, INC. (US) 2026-03-17 US disclosed
US-20240150798-A1 MICROORGANISMS AND METHODS FOR PRODUCING (3R)-HYDROXYBUTYL (3R)-HYDROXYBUTYRATE GENOMATICA INC (US) 2024-05-09 US disclosed
US-11814664-B2 Microorganisms and methods for producing (3R)-hydroxybutyl (3R)-hydroxybutyrate GENOMATICA, INC. (US) 2023-11-14 US disclosed
US-20230287435-A1 MICROORGANISMS AND METHODS FOR REDUCING BY-PRODUCTS AGAIN BIO APS (DK) 2023-09-14 US disclosed
US-20220403420-A1 MICROORGANISMS AND METHODS FOR INCREASING CO-FACTORS AGAIN BIO APS (DK) 2022-12-22 US disclosed
EP-4051657-A1 MICROORGANISMS AND METHODS FOR REDUCING BY-PRODUCTS Genomatica, Inc. (US) 2022-09-07 EP disclosed
EP-4048781-A1 MICROORGANISMS AND METHODS FOR INCREASING CO-FACTORS Genomatica, Inc. (US) 2022-08-31 EP disclosed
WO-2021086944-A1 MICROORGANISMS AND METHODS FOR RECUCING BY-PRODUCTS GENOMATICA, INC. (US) 2021-05-06 WO disclosed
WO-2020205544-A1 USE OF KETONE BODIES MEDICAL IMAGING AND DIAGNOSTICS CARY DOUGLAS D (US) 2020-10-08 WO disclosed
EP-3296284-A1 HYDROXYBUTYRATE ESTER AND MEDICAL USE THEREOF The Government of the United States of America, as repres. by the Secretary of Health and Human Services, Nat. Inst. of Health (US) 2018-03-21 EP disclosed
US-20160108442-A1 MICROORGANISMS AND METHODS FOR PRODUCING (3R)-HYDROXYBUTYL (3R)-HYDROXYBUTYRATE GENOMATICA, INC. (US) 2016-04-21 US disclosed
US-9034613-B2 Process for the preparation of (3R)-hydroxybutyl (3R)-hydroxybutyrate by enzymatic enantioselective reduction employing Lactobacillus brevis alcohol dehydrogenase ISIS INNOVATION LIMITED 2015-05-19 US disclosed
US-20120064611-A1 Process For The Preparation of (3R)-Hydroxybutyl (3R) -Hydroxybutyrate By Enzymatic Enantioselective Reduction Employing Lactobacillus Brevis Alcohol Dehydrogenase OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2012-03-15 US disclosed
US-20120064611-A1 Process For The Preparation of (3R)-Hydroxybutyl (3R) -Hydroxybutyrate By Enzymatic Enantioselective Reduction Employing Lactobacillus Brevis Alcohol Dehydrogenase OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2012-03-15 US disclosed
EP-2419519-A1 PROCESS FOR THE PREPARATION OF (3R)-HYDR0XYBUTYL (3R) -HYDROXYBUTYRATE BY ENZYMATIC ENANTIOSELECTIVE REDUCTION EMPLOYING LACTOBACILLUS BREVIS ALCOHOL DEHYDROGENASE Isis Innovation Limited (GB) 2012-02-22 EP disclosed
US-20110237666-A1 HYDROXYBUTYRATE ESTER AND MEDICAL USE THEREOF ISIS INNOVATION LIMITED (GB) 2011-09-29 US disclosed
US-20110237666-A1 HYDROXYBUTYRATE ESTER AND MEDICAL USE THEREOF ISIS INNOVATION LIMITED (GB) 2011-09-29 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 (6 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-20120064611-A1 Process For The Preparation of (3R)-Hydroxybutyl (3R) -Hydroxybutyrate By Enzymatic Enantioselective Reduction Employing Lactobacillus Brevis Alcohol Dehydrogenase ADH5, ADH1A, ADH1C HSPD1 626/4885BLM 1399/4885HSPE1 1137/4885
US-20240150798-A1 MICROORGANISMS AND METHODS FOR PRODUCING (3R)-HYDROXYBUTYL (3R)-HYDROXYBUTYRATE ACACB, GRHPR, HSD17B10 HSPD1 1183/4885BLM 3948/4885HSPE1 1608/4885
US-20110237666-A1 HYDROXYBUTYRATE ESTER AND MEDICAL USE THEREOF FFAR3, FFAR1, PYGB HSPD1 227/4885BLM 4736/4885HSPE1 369/4885
US-11814664-B2 Microorganisms and methods for producing (3R)-hydroxybutyl (3R)-hydroxybutyrate ACACB, GRHPR, HSD17B10 HSPD1 1183/4885BLM 3948/4885HSPE1 1608/4885
US-12577591-B2 Microorganisms and methods for increasing co-factors ABAT, HADHB, MMAB HSPD1 566/4885BLM 4269/4885HSPE1 1260/4885
US-20160108442-A1 MICROORGANISMS AND METHODS FOR PRODUCING (3R)-HYDROXYBUTYL (3R)-HYDROXYBUTYRATE ACACB, GRHPR, HSD17B10 HSPD1 1183/4885BLM 3948/4885HSPE1 1608/4885

“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.