SCHEMBL6530499

SCHEMBL6530499

C=CCC(C(=O)O)C(C)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.39
GRIK2 Q13002 2/20 0.39
CYP2C19 P33261 1/20 0.38
CPA1 P15085 1/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 1/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
MMP2 P08253 2/20 0.32
MMP3 P08254 2/20 0.32
MMP7 P09237 2/20 0.32
MMP1 P03956 1/20 0.32
ABCC4 O15439 1/20 0.31
MAPT P10636 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL8017237 1.00 GRIK1 (0.39) GRIK1GRIK2CYP2C19CPA1TP53
SCHEMBL6530502 1.00 GRIK1 (0.39) GRIK1GRIK2CYP2C19CPA1TP53
SCHEMBL23688391 1.00 GRIK1 (0.39) GRIK1GRIK2CYP2C19CPA1TP53
SCHEMBL8020514 1.00 GRIK1 (0.39) GRIK1GRIK2CYP2C19CPA1TP53
SCHEMBL2987273 0.84 SLC1A3 (0.45) GRIK1GRIK2CYP2C19CPA1TP53
SCHEMBL4798136 0.84 SLC1A3 (0.45) GRIK1GRIK2CYP2C19CPA1TP53
SCHEMBL2987274 0.84 SLC1A3 (0.45) GRIK1GRIK2CYP2C19CPA1TP53
SCHEMBL1133379 0.83 GRIK1 (0.46) GRIK1GRIK2CYP2C19CPA1ALDH1A1
SCHEMBL17213409 0.83 GRIK1 (0.37) GRIK1GRIK2CYP2C19CPA1TP53
SCHEMBL11199369 0.82 GRIK1 (0.39) GRIK1GRIK2CYP2C19CPA1TP53

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3027696-B1 COMPOSITIONS INCLUDING N-BUTYL 3-HYDROXYBUTYRATE EASTMAN CHEM CO (US) 2021-08-18 EP claimed
EP-3027695-B1 AQUEOUS CLEANING COMPOSITIONS INCLUDING AN ALKYL 3-HYDROXYBUTYRATE EASTMAN CHEM CO (US) 2019-05-08 EP claimed
US-20230052348-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2023-02-16 US disclosed
US-20210230189-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2021-07-29 US disclosed
US-20050069995-A1 (R)-hydroxycarboxylic acid producing recombinant microorganism and process for preparing (r)-hydroxycarboxylic acid using the same KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2005-03-31 US disclosed
US-20030143703-A1 Recombinant microorganism expressing polyhydroxyalkanoate biosynthesis enzyme and intracellular PHA depolymerase KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2003-07-31 US disclosed
WO-2003046159-A1 (R)-HYDROXYCARBOXYLIC ACID PRODUCING RECOMBINANT MICROORGANISM AND PROCESS FOR PREPARING (R)-HYDROXYCARBOXYLIC ACID USING THE SAME KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2003-06-05 WO disclosed
EP-0991772-A1 METHODS AND PRECURSORS FOR THE PRODUCTION OF CHIRAL VICINAL AMINOALCOHOLS Biocatalytics, Inc. (US) 2000-04-12 EP disclosed
US-5942644-A Precursors for the production of chiral vicinal aminoalcohols BIOCATALYTICS, INC. (US) 1999-08-24 US disclosed
WO-1998054350-A1 METHODS AND PRECURSORS FOR THE PRODUCTION OF CHIRAL VICINAL AMINOALCOHOLS BIOCATALYTICS, INC. (US) 1998-12-03 WO disclosed
US-5834261-A STEREOSPECIFIC REARRANGEMENT BIOSYNTHESIS BY MICROORGANISM BIOCATALYTICS, INC. (US) 1998-11-10 US disclosed
US-4772658-A ADDITION POLYMERIZATION, POLYISOCYANATE-UNSATURATED ALCOHOL ADDUCT, POLYURETHANES, MOLDINGS THE DOW CHEMICAL COMPANY (US) 1988-09-20 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 (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-20210230189-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 GRIK1 3717/4885GRIK2 4393/4885CYP2C19 4259/4885
US-20230052348-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 GRIK1 3717/4885GRIK2 4393/4885CYP2C19 4259/4885

“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.