SCHEMBL678560

SCHEMBL678560

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TET2 Q6N021 1/20 0.39
DGAT1 O75907 1/20 0.35
EGLN1 Q9GZT9 1/20 0.33
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
TSHR P16473 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
SCHEMBL3115138 0.78 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL19874837 0.77 ALDH1A1 (0.38) ALDH1A1TET2DGAT1EGLN1
SCHEMBL15804065 0.76 ALDH1A1 (0.33) ALDH1A1TET2KEAP1NFE2L2HCAR2
SCHEMBL321582 0.75 DGAT1 (0.52) ALDH1A1TET2DGAT1EGLN1
SCHEMBL28433326 0.75 DGAT1 (0.41) ALDH1A1TET2DGAT1EGLN1
SCHEMBL4784315 0.73 DGAT1 (0.39) ALDH1A1DGAT1
SCHEMBL486217 0.73 ALDH1A1 (0.41) ALDH1A1TET2EGLN1KEAP1NFE2L2
SCHEMBL5838619 0.73 FKBP1A (0.40) ALDH1A1TET2DGAT1EGLN1TSHR
SCHEMBL6950834 0.71 ALDH1A1 (0.56) ALDH1A1TET2EGLN1KEAP1NFE2L2
SCHEMBL348208 0.71 TSHR (0.40) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121378163-A Preparation method of 4-amino-6-tert-butyl-3-mercapto-1, 2, 4-triazine-5 (4H) -ketone 青岛科技大学 2026-01-23 CN disclosed
US-11655314-B2 Photoinitiators for light-curable compositions TECHNISCHE UNIVERSITAET WIEN (AT) 2023-05-23 US disclosed
US-11655314-B2 Photoinitiators for light-curable compositions TECHNISCHE UNIVERSITAET WIEN (AT) 2023-05-23 US disclosed
US-11518823-B2 Photoinitiators for light-curable compositions TECHNISCHE UNIVERSITAET WIEN (AT) 2022-12-06 US disclosed
US-20220235153-A1 PHOTOINITIATORS FOR LIGHT-CURABLE COMPOSITIONS TECHNISCHE UNIVERSITAET WIEN (AT) 2022-07-28 US disclosed
US-11193157-B2 Processes using amino acid dehydrogenases and ketoreductase-based cofactor regenerating system CODEXIS, INC. (US) 2021-12-07 US disclosed
US-20200231531-A1 PHOTOINITIATORS FOR LIGHT-CURABLE COMPOSITIONS TECHNISCHE UNIVERSITAET WIEN (AT) 2020-07-23 US disclosed
US-20200181672-A1 PROCESSES USING AMINO ACID DEHYDROGENASES AND KETOREDUCTASE-BASED COFACTOR REGENERATING SYSTEM INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2020-06-11 US disclosed
US-10604781-B2 Processes using amino acid dehydrogenases and ketoreductase-based cofactor regenerating system CODEXIS, INC. (US) 2020-03-31 US disclosed
US-20190112630-A1 PROCESSES USING AMINO ACID DEHYDROGENASES AND KETOREDUCTASE-BASED COFACTOR REGENERATING SYSTEM INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2019-04-18 US disclosed
US-20050228044-A1 Ppar alpha selective compounds for the treatment of dyslipidemia and other lipid disorders MERCK SHARP & DOHME CORP. 2005-10-13 US disclosed
EP-1539136-A2 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS Merck & Co., Inc. (US) 2005-06-15 EP disclosed
US-20040087569-A1 N-heterocyclic bicyclic lactone compounds NELSON TODD D (US) 2004-05-06 US disclosed
WO-2004010936-A2 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO., INC. (US) 2004-02-05 WO disclosed
US-6583312-B2 Catalytic hydrogenation of trimethylpyruvic acid BAYER AKTIENGESELLSCHAFT (DE) 2003-06-24 US disclosed
US-20020035271-A1 Process for preparing oprtically active trimethyllactic acid and its ester BAYER AKTIENGESELLSCHAFT (DE) 2002-03-21 US disclosed
US-6348617-B1 REACTING PYRUVIC ACID COMPOUND IN WATER WITH AMMONIUM OR ALKALI METAL BISULFITE TO GIVE AQUEOUS SOLUTION OF BISULFITE ADDUCT, ISOLATING BY PHASE SEPARATION, OPTIONALLY USING HYDROPHOBIC SOLVENT, CONTACTING WITH ACID TO DECOMPOSE ADDUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 US disclosed
EP-0937703-A1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-25 EP disclosed
CN-87106076-A Hydantoin derivative and be the weedicide of effective ingredient with this derivative 1988-08-31 CN disclosed
US-4698333-A Use of substituted malonic acid derivatives as agents for combating pests BAYER AKTIENGESELLSCHAFT (DE) 1987-10-06 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 (7 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-11655314-B2 Photoinitiators for light-curable compositions OXER1, PPOX, ORC3 ALDH1A1 901/4885TET2 2768/4885DGAT1 3297/4885
US-11518823-B2 Photoinitiators for light-curable compositions OXER1, ORC3, PPOX ALDH1A1 874/4885TET2 2904/4885DGAT1 3300/4885
US-20040087569-A1 N-heterocyclic bicyclic lactone compounds VIP, NGLY1, NPPA ALDH1A1 2305/4885TET2 4131/4885DGAT1 3633/4885
US-20050228044-A1 Ppar alpha selective compounds for the treatment of dyslipidemia and other lipid disorders PPARD, PPARA, PPARG ALDH1A1 426/4885TET2 4798/4885DGAT1 70/4885
US-20020035271-A1 Process for preparing oprtically active trimethyllactic acid and its ester ME1, OPRK1, OPRM1 ALDH1A1 2551/4885TET2 459/4885DGAT1 1757/4885
US-20220235153-A1 PHOTOINITIATORS FOR LIGHT-CURABLE COMPOSITIONS OXER1, PPOX, ORC3 ALDH1A1 901/4885TET2 2768/4885DGAT1 3297/4885
US-20200231531-A1 PHOTOINITIATORS FOR LIGHT-CURABLE COMPOSITIONS OXER1, ORC3, PPOX ALDH1A1 874/4885TET2 2904/4885DGAT1 3300/4885

“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.