SCHEMBL1409965

SCHEMBL1409965

CC(C)[C@@](O)(CC(=O)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.58
CPT2 P23786 2/20 0.58
HSPD1 P10809 1/20 0.47
BLM P54132 1/20 0.47
HSPE1 P61604 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HMGCR P04035 1/20 0.46
CHRM1 P11229 1/20 0.46
TBXA2R P21731 1/20 0.46
ADRA1A P35348 1/20 0.46
CYP2C19 P33261 2/20 0.44
HIF1A Q16665 2/20 0.44
TSHR P16473 2/20 0.44
CYP2D6 P10635 1/20 0.44
KDM4E B2RXH2 1/20 0.34
FFAR1 O14842 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL59972 1.00 ACLY (0.58) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL1462468 1.00 ACLY (0.58) ACLYCPT2HSPD1BLMHSPE1
Cadaverine Tartrate SCHEMBL9398238 0.89 ACLY (0.59) ACLYCPT2HSPD1BLMHSPE1
Malic Acid SCHEMBL29107079 0.84 SMN1; SMN2 (0.54) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL13176929 0.83 CPT2 (0.40) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL18283302 0.83 ACLY (0.61) ACLYCPT2HSPD1BLMHSPE1
Leucine SCHEMBL935696 0.82 SLC7A5 (0.60) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL17632510 0.82 ACLY (0.50) ACLYCPT2HSPD1BLMHSPE1
Leucine SCHEMBL935695 0.82 SLC7A5 (0.60) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL18283331 0.81 CPT2 (0.39) ACLYCPT2HSPD1BLMHSPE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12606850-B2 Synthesis of beta-hydroxyisovalerate and methods of use Sasya, Inc. (US) 2026-04-21 US disclosed
US-12460234-B2 Synthesis of isoprenoids and derivatives WILLIAM MARSH RICE UNIVERSITY (US) 2025-11-04 US disclosed
US-12338481-B2 Method for producing 2-methyl-butyric acid by bacterial fermentation AJINOMOTO CO., INC. (JP) 2025-06-24 US disclosed
US-20250002949-A1 SYNTHESIS OF BETA-HYDROXYISOVALERATE AND METHODS OF USE Sasya Inc. 2025-01-02 US disclosed
US-20240376483-A1 RECOMBINANT MICROORGANISM AND L-LEUCINE PRODUCTION METHOD USING SAME GREEN EARTH INSTITUTE CO., LTD. (JP) 2024-11-14 US disclosed
EP-4092114-B1 NOVEL 2-ISOPROPYLMALATE SYNTHASE VARIANT AND METHOD FOR PRODUCING L-VALINE USING SAME CJ CHEILJEDANG CORP (KR) 2024-08-28 EP disclosed
US-20240182932-A1 SYNTHESIS OF ISOPRENOIDS AND DERIVATIVES WILLIAM MARSH RICE UNIVERSITY (US) 2024-06-06 US disclosed
EP-4034668-B1 METHOD FOR PRODUCING 2-METHYL-BUTYRIC ACID BY BACTERIAL FERMENTATION AJINOMOTO KK (JP) 2024-04-17 EP disclosed
CN-117740961-A Compound analysis method of liquorice and liquorice probiotics fermentation preparation 北京中医药大学 2024-03-22 CN disclosed
US-11920177-B2 Synthesis of beta-hydroxyisovalerate and methods of use Sasya Inc. (US) 2024-03-05 US disclosed
US-8311790-B2 Reverse engineering genome-scale metabolic network reconstructions for organisms with incomplete genome annotation and developing constraints using proton flux states and numerically-determined sub-systems UNIVERSITY OF DELAWARE (US) 2012-11-13 US disclosed
WO-2011034397-A2 METHOD FOR PREDICTING DRUG TARGETS AND SCREENING FOR DRUGS FOR PATHOGENIC MICROORGANISMS USING ESSENTIAL METABOLITES 한국과학기술원 (KR) 2011-03-24 WO disclosed
EP-2295593-A1 Method for the enymatic production of 3-hydroxy-3-methylbutyric acid from acetone and acetyl-CoA Marliere, Philippe (FR) 2011-03-16 EP disclosed
US-20100304432-A1 GENETICALLY MODIFIED BIOLOGICAL CELLS O'KEEFE, THERESA 2010-12-02 US disclosed
EP-2230312-A1 Probe compound for detecting and isolating enzymes and means and methods using the same Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-22 EP disclosed
US-20090259451-A1 REVERSE ENGINEERING GENOME-SCALE METABOLIC NETWORK RECONSTRUCTIONS FOR ORGANISMS WITH INCOMPLETE GENOME ANNOTATION AND DEVELOPING CONSTRAINTS USING PROTON FLUX STATES AND NUMERICALLY-DETERMINED SUB-SYSTEMS UNIVERSITY OF DELAWARE (US) 2009-10-15 US disclosed
EP-0095862-B1 FERMENTATION PROCESS FOR PRODUCTION OF ALPHA-ISOPROPYLMALIC ACID PFIZER INC. (US) 1986-07-30 EP disclosed
EP-0095862-A1 Fermentation process for production of alpha-isopropylmalic acid PFIZER INC. (US) 1983-12-07 EP disclosed
US-4407953-A BY YARROWIA LIPOLYTICA PFIZER INC. (US) 1983-10-04 US disclosed
EP-0054223-A2 Plasmid vectors for eukaryotic cells and method for selecting transfected eukaryotic cells F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-06-23 EP 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 (1 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-12606850-B2 Synthesis of beta-hydroxyisovalerate and methods of use CYP51A1, CYP4Z1, CYP2U1 ACLY 598/4885CPT2 1901/4885HSPD1 1768/4885

“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.