SCHEMBL104478

SCHEMBL104478

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.33
PTGS1 P23219 1/20 0.33
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
SLC7A5 Q01650 1/20 0.32
CYP2D6 P10635 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TET2 Q6N021 1/20 0.30
CPT2 P23786 1/20 0.30
ACLY P53396 1/20 0.30

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
SCHEMBL285426 1.00 TSHR (0.45) TSHRALDH1A1TP53MAPTPTGS1
SCHEMBL15908131 1.00 TSHR (0.45) TSHRALDH1A1TP53MAPTPTGS1
SCHEMBL18832123 1.00 TSHR (0.45) TSHRALDH1A1TP53MAPTPTGS1
SCHEMBL1924478 1.00 TSHR (0.45) TSHRALDH1A1TP53MAPTPTGS1
SCHEMBL1085851 0.79
SCHEMBL503261 0.79
SCHEMBL1576713 0.79
SCHEMBL1300583 0.79 ALDH1A1 (0.41) TSHRALDH1A1TET2
SCHEMBL11396749 0.79 ALDH1A1 (0.41) TSHRALDH1A1MAPTPTGS1CYP2D6
SCHEMBL3138263 0.77 ALDH1A1 (0.33) TSHRALDH1A1TP53MAPTPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3724307-B1 LAUNDRY SURFACTANTS HAVING INHERENT BUILDING CAPACITY DERIVED FROM BIO-BASED HYDROYACIDS AND EPOXIDES; AND PROCESS THEREFORE BATTELLE MEMORIAL INSTITUTE (US) 2025-07-16 EP claimed
EP-2734509-B1 METHODS FOR PREPARATION OF AMMONIUM SALTS OF C4 DIACIDS BY FERMENTATION AND INTEGRATED METHODS FOR MAKING C4 DERIVATIVES THEREOF ARCHER DANIELS MIDLAND CO (US) 2018-12-26 EP claimed
CN-107001535-A Copolymers and their use for reducing paraffin crystal crystallisation in fuels 巴斯夫欧洲公司 2017-08-01 CN claimed
CN-106667962-A Charge conversion type nanometer drug carrier and preparation method thereof 深圳大学 2017-05-17 CN claimed
CN-104224721-B Sensitively responsive polymer nano-particles, and preparation method and application thereof 深圳先进技术研究院 2017-05-03 CN claimed
WO-2011119637-A9 PREDICTING HUMAN DEVELOPMENTAL TOXICITY OF PHARMACEUTICALS USING HUMAN STEM-LIKE CELLS AND METABOLOMICS STEMINA BIOMARKER DISCOVERY, INC. (US) 2015-12-10 WO claimed
US-20140343039-A1 PROCESS FOR PREPARING CEPHALOTAXINE ESTERS ROBIN JEAN-PIERRE (CH) 2014-11-20 US claimed
EP-2550365-A1 PREDICTING HUMAN DEVELOPMENTAL TOXICITY OF PHARMACEUTICALS USING HUMAN STEM-LIKE CELLS AND METABOLOMICS Stemina Biomarker Discovery, Inc. (US) 2013-01-30 EP claimed
CN-102573845-A Novel dicarboxylic acid linked amino acid and peptide prodrugs of opioids and uses thereof SHIRE LLC 2012-07-11 CN claimed
EP-2413937-A1 NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF Shire LLC (US) 2012-02-08 EP claimed
US-20020010154-A1 Compositions comprising cyclodextrin THE PROCTER & GAMBLE COMPANY 2002-01-24 US claimed
WO-2001088076-A1 COMPOSITIONS COMPRISING CYCLODEXTRIN THE PROCTER & GAMBLE COMPANY (US) 2001-11-22 WO claimed
US-6289286-B1 Surface regeneration of biosensors and characterization of biomolecules associated therewith BIACORE AB (SE) 2001-09-11 US claimed
WO-2001060961-A1 STABLE, AQUEOUS COMPOSITIONS FOR TREATING SURFACES, ESPECIALLY FABRICS THE PROCTER & GAMBLE COMPANY (US) 2001-08-23 WO claimed
EP-1082607-A1 SURFACE REGENERATION OF BIOSENSORS Biacore AB (SE) 2001-03-14 EP claimed
EP-0983224-A1 PROCESS FOR PREPARING AND PURIFYING COMPLEX ESTERS Neste Chemicals Oy (FI) 2000-03-08 EP claimed
WO-1999063333-A1 SURFACE REGENERATION OF BIOSENSORS BIACORE AB (SE) 1999-12-09 WO claimed
WO-1998050338-A1 PROCESS FOR PREPARING AND PURIFYING COMPLEX ESTERS NESTE CHEMICALS OY (FI) 1998-11-12 WO claimed
US-4361471-A Electrolytic swimming pool chlorination WALKER & BRUNSON INCORPORATED, A CORP. OF HOUSTON, TX. 1982-11-30 US claimed
US-4285841-A Highly concentrated fatty acid containing liquid detergent compositions THE PROCTER & GAMBLE COMPANY (US) 1981-08-25 US 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 (2 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-20020010154-A1 Compositions comprising cyclodextrin FFAR4, FRG1, FGB TSHR 3607/4885ALDH1A1 3053/4885TP53 655/4885
US-20140343039-A1 PROCESS FOR PREPARING CEPHALOTAXINE ESTERS CFH, C5, CHRM1 TSHR 1045/4885ALDH1A1 1057/4885TP53 4881/4885

“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.