Sugi Predict

Sugi Predict / Compounds / SCHEMBL42928

SCHEMBL42928

SCHEMBL42928

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPT2 P23786 1/20 0.41
▸ ACLY P53396 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CHRM1 P11229 2/20 0.35
▸ ADRA1A P35348 2/20 0.35
▸ HMGCR P04035 1/20 0.35
▸ TBXA2R P21731 1/20 0.35
▸ AKR1A1 P14550 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PGD P52209 1/20 0.33

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
SCHEMBL940317 1.00 CPT2 (0.41) CPT2ACLYALDH1A1TP53TSHR
SCHEMBL23071625 1.00 CPT2 (0.41) CPT2ACLYALDH1A1TP53TSHR
SCHEMBL940318 1.00 CPT2 (0.41) CPT2ACLYALDH1A1TP53TSHR
SCHEMBL31072283 1.00 CPT2 (0.41) CPT2ACLYALDH1A1TP53TSHR
Isoleucine SCHEMBL23071622 0.82 SLC7A5 (0.36) —
Isoleucine SCHEMBL23071624 0.82 SLC7A5 (0.36) —
SCHEMBL8277201 0.77 CPT2 (0.38) CPT2ACLYALDH1A1TP53TSHR
SCHEMBL14661898 0.77 CPT2 (0.38) CPT2ACLYALDH1A1TP53TSHR
SCHEMBL8277447 0.77 CPT2 (0.38) CPT2ACLYALDH1A1TP53TSHR
SCHEMBL9150351 0.77 CPT2 (0.38) CPT2ACLYALDH1A1TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115785409-B Titanium catalyst and preparation method thereof 中国石油化工股份有限公司 2024-03-26 — — CN claimed
CN-115785409-A Titanium catalyst and preparation method thereof 中国石油化工股份有限公司 2023-03-14 — — CN claimed
CN-113480712-A Dispersing agent and photocuring 3D printing ink 昆山九璨新材料科技有限公司 2021-10-08 — — CN claimed
US-10626392-B2 Particulate solid composite material for nucleic acid purification, containing magnetic nanoparticles AXAGARIUS GMBH & CO. KG (DE) 2020-04-21 — — US claimed
US-20180127742-A1 PARTICULATE SOLID COMPOSITE MATERIAL FOR NUCLEIC ACID PURIFICATION, CONTAINING MAGNETIC NANOPARTICLES AXAGARIUS GMBH & CO. KG (DE) 2018-05-10 — — US claimed
EP-2501368-B1 A PROCESS FOR CONVERTING A SOLID (METH)ACRYLATE COPOLYMER INTO A DISPERSED FORM BY MEANS OF A DISPERSING AGENT EVONIK ROEHM GMBH (DE) 2018-04-18 — — EP claimed
WO-2018037097-A1 METHOD FOR PREPARING RICH CULTURE MEDIA FOR LABELLING AMINO ACIDS INCORPORATED INTO PROTEINS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2018-03-01 — — WO claimed
US-20160076062-A1 PROCESSING BIOMASS TO OBTAIN HYDROXYLCARBOXYLIC ACIDS XYLECO, INC. 2016-03-17 — — US claimed
US-9284416-B2 Process for converting a solid (meth)acrylate copolymer into a dispersed form by means of a dispersing agent EVONIK ROEHM GMBH (DE) 2016-03-15 — — US claimed
CN-105247060-A Processing biomass to obtain hydroxycarboxylic acids XYLECO INC 2016-01-13 — — CN claimed
US-20100143911-A1 METHOD FOR SCREENING ESSENTIAL METABOLITES IN GROWTH OF MICROORGANISMS KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-06-10 — — US claimed
WO-2010051527-A2 ENGINEERED MICROORGANISMS CAPABLE OF PRODUCING TARGET COMPOUNDS UNDER ANAEROBIC CONDITIONS GEVO, INC. (US) 2010-05-06 — — WO claimed
CN-101611312-A Method for screening essential metabolites in microbial growth KOREA INST SCI & TECH (KR) 2009-12-23 — — CN claimed
US-20090288337-A1 Made from biosynthesis; can be further converted to bis(2-methyl)butyl ether or 3,3,5-trimethylheptane; fuel addtive, biofuel-fossil fuel blends, or biofuels VIRIDOS, INC. 2009-11-26 — — US claimed
EP-2097743-A1 METHOD FOR SCREENING ESSENTIAL METABOLITES IN GROWTH OF MICROORGANISMS Korea Advanced Institute of Science and Technology (KR) 2009-09-09 — — EP claimed
WO-2009076480-A2 METHYLBUTANOL AS AN ADVANCED BIOFUEL SYNTHETIC GENOMICS, INC. (US) 2009-06-18 — — 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
WO-2004104176-A2 METHOD FOR THE IDENTIFICATION OF INHIBITORS OF ORNITHINE CARBAMOYLTRANSFERASE, KETOL-ACID REDUCTOISOMERASE, AND FUNGAL PATHOGENICITY-CONFERRING GENE AS ANTIBIOTICS PARADIGM GENETICS, INC. (US) 2004-12-02 — — WO claimed
WO-2001077366-A1 POSITIVE SELECTION METHOD, COMPOUNDS, HOST CELLS AND USES THEREOF CUBIST PHARMACEUTICALS, INC. (US) 2001-10-18 — — WO claimed
US-4329427-A BREVIBACTERIUM CULTURE W. R. GRACE & CO. (US) 1982-05-11 — — 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 (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-20090288337-A1 Made from biosynthesis; can be further converted to bis(2-methyl)butyl ether or 3,3,5-trimethylheptane; fuel addtive, biofuel-fossil fuel blends, or biofuels ABHD5, ADH5, ALKBH3 CPT2 375/4885ACLY 1067/4885ALDH1A1 1059/4885

“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.