SCHEMBL416276

SCHEMBL416276

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.50
HIF1A Q16665 2/20 0.50
TSHR P16473 2/20 0.50
CYP2D6 P10635 1/20 0.50
HMGCR P04035 1/20 0.46
CHRM1 P11229 1/20 0.46
TBXA2R P21731 1/20 0.46
ADRA1A P35348 1/20 0.46
ALDH1A1 P00352 2/20 0.40
CPT2 P23786 2/20 0.39
KDM4E B2RXH2 1/20 0.39
FFAR1 O14842 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ACLY P53396 3/20 0.33
TET2 Q6N021 1/20 0.32
FFAR3 O14843 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
SCHEMBL3713463 1.00 CYP2C19 (0.50) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL4628158 1.00 CYP2C19 (0.50) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL28838440 0.83 CYP2D6 (0.36) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL13688692 0.83 HMGCR (0.44) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL11180724 0.81 HMGCR (0.42) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL19031719 0.78 CYP2C19 (0.48) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL18138374 0.78 CYP2C19 (0.43) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL823261 0.77
SCHEMBL535726 0.77
SCHEMBL7200959 0.77

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 241 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
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
US-20120022250-A1 PROCESS FOR PREPARING CEPHALOTAXINE ESTERS ROBIN JEAN-PIERRE (CH) 2012-01-26 US claimed
WO-2011119637-A1 PREDICTING HUMAN DEVELOPMENTAL TOXICITY OF PHARMACEUTICALS USING HUMAN STEM-LIKE CELLS AND METABOLOMICS STEMINA BIOMARKER DISCOVERY, INC. (US) 2011-09-29 WO claimed
WO-2010103405-A2 PROCESS FOR PREPARING CEPHALOTAXINE ESTERS ROBIN JEAN-PIERRE (CH) 2010-09-16 WO claimed
EP-1282680-A1 COMPOSITIONS COMPRISING CYCLODEXTRIN THE PROCTER & GAMBLE COMPANY (US) 2003-02-12 EP claimed
US-6503413-B2 Polyalkylene polysiloxane, buffering agent, aqueous carrier THE PROCTER & GAMBLE COMPANY 2003-01-07 US 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 (3 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 CYP2C19 945/4885HIF1A 4348/4885TSHR 3607/4885
US-20120022250-A1 PROCESS FOR PREPARING CEPHALOTAXINE ESTERS CHRM1, OPRM1, CHRM2 CYP2C19 1432/4885HIF1A 1107/4885TSHR 561/4885
US-20140343039-A1 PROCESS FOR PREPARING CEPHALOTAXINE ESTERS CFH, C5, CHRM1 CYP2C19 414/4885HIF1A 1226/4885TSHR 1045/4885

“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.