SCHEMBL259033

SCHEMBL259033

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
TP53 P04637 1/20 0.47
SLC7A5 Q01650 1/20 0.39
CYP2C9 P11712 1/20 0.39
PDE4A P27815 1/20 0.33
LMNA P02545 1/20 0.32
HIF1A Q16665 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
FPR1 P21462 1/20 0.32
FPR2 P25090 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
SCHEMBL19359097 1.00 TSHR (0.50) TSHRTP53SLC7A5CYP2C9PDE4A
SCHEMBL28397725 1.00 TSHR (0.50) TSHRTP53SLC7A5CYP2C9PDE4A
SCHEMBL3760910 1.00 TSHR (0.50) TSHRTP53SLC7A5CYP2C9PDE4A
SCHEMBL14748299 1.00 TSHR (0.50) TSHRTP53SLC7A5CYP2C9PDE4A
SCHEMBL19585105 1.00 TSHR (0.50) TSHRTP53SLC7A5CYP2C9PDE4A
SCHEMBL3137028 1.00 TSHR (0.50) TSHRTP53SLC7A5CYP2C9PDE4A
SCHEMBL2246998 0.83 TSHR (0.45) TSHRTP53SLC7A5CYP2C9PDE4A
SCHEMBL2251994 0.83 TSHR (0.45) TSHRTP53SLC7A5CYP2C9PDE4A
SCHEMBL25787135 0.83 TP53 (0.43) TSHRTP53SLC7A5CYP2C9FPR1
Butyric Acid SCHEMBL16972049 0.82 FFAR3 (0.52) TSHRPDE4A

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 813 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 claimed
EP-4679087-A1 BIOMARKER AND USE THEREOF MEIJI CO., LTD (JP) 2026-01-14 EP claimed
US-20250313852-A1 BIDIRECTIONAL CHEF1 VECTORS AGC BIOLOGICS INC (US) 2025-10-09 US claimed
EP-3957736-B1 PRODUCTION OF ODD CHAIN FATTY ACID DERIVATIVES IN RECOMBINANT MICROBIAL CELLS GENOMATICA INC (US) 2025-08-06 EP claimed
CN-119752907-A Promoter mutant and application thereof 安徽华恒生物科技股份有限公司 2025-04-04 CN claimed
CN-119709813-A Shuttle vector system based on blue algae endogenous plasmid 厦门大学 2025-03-28 CN claimed
US-12234495-B2 Synthesis of beta-hydroxyisovalerate and methods of use Sasya Inc. (US) 2025-02-25 US claimed
US-20250002949-A1 SYNTHESIS OF BETA-HYDROXYISOVALERATE AND METHODS OF USE Sasya Inc. 2025-01-02 US claimed
CN-117757705-A Construction and application of genetic engineering strain capable of realizing co-production of branched-chain amino acid 元素驱动(杭州)生物科技有限公司 2024-03-26 CN claimed
US-11920177-B2 Synthesis of beta-hydroxyisovalerate and methods of use Sasya Inc. (US) 2024-03-05 US claimed
WO-2008098227-A2 BIOFUEL PRODUCTION BY RECOMBINANT MICROORGANISMS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-08-14 WO claimed
WO-2008078911-A1 METHOD FOR SCREENING ESSENTIAL METABOLITES IN GROWTH OF MICROORGANISMS KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-07-03 WO claimed
EP-1461460-A4 METHODS FOR THE IDENTIFICATION OF INHIBITORS OF ASPARAGINE SYNTHASE, 5-AMINOLEVULINATE SYNTHASE, HISTIDINOL-PHOSPHATASE, 3-ISOPROPYLMALATE AND THREONINE SYNTHASE AS ANTIBIOTICS ICORIA INC (US) 2006-07-05 EP claimed
WO-2005050311-A1 STABILIZED HIGH-SPEED EMULSIONS AND PHOTOTHERMOGRAPHIC MATERIALS EASTMAN KODAK COMPANY (US) 2005-06-02 WO claimed
US-20050106514-A1 Stabilized high-speed thermally developable emulsions and photothermographic materials EASTMAN KODAK COMPANY 2005-05-19 US claimed
EP-1461460-A2 METHODS FOR THE IDENTIFICATION OF INHIBITORS OF ASPARAGINE SYNTHASE, 5-AMINOLEVULINATE SYNTHASE, HISTIDINOL-PHOSPHATASE, 3-ISOPROPYLMALATE AND THREONINE SYNTHASE AS ANTIBIOTICS Paradigm Genetics Inc. (US) 2004-09-29 EP claimed
US-6733963-B2 FOR IDENTIFICATION OF FUNGICIDES WHICH AFFECT BIOSYNTHESIS OF L-LEUCINE; DRUG SCREENING PARADIGM GENETICS, INC. 2004-05-11 US claimed
US-20030143657-A1 Methods for the identification of inhibitors of 3-isopropylmalate dehydratase as antibiotics ICORIA, INC. 2003-07-31 US claimed
WO-2003050310-A2 METHODS FOR THE IDENTIFICATION OF INHIBITORS OF ASPARAGINE SYNTHASE, 5-AMINOLEVULINATE SYNTHASE, HISTIDINOL-PHOSPHATASE, 3-ISOPROPYLMALATE AND THREONINE SYNTHASE AS ANTIBIOTICS PARADIGM GENETICS, INC. (US) 2003-06-19 WO claimed
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 claimed

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 TSHR 1764/4885TP53 1633/4885SLC7A5 2321/4885

“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.