SCHEMBL720931

SCHEMBL720931

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.58
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 7/20 0.43
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 2/20 0.37
SLC15A2 Q16348 1/20 0.37
EPHX2 P34913 1/20 0.36
MAPT P10636 3/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA1A P35348 1/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL56403 0.89 TSHR (0.63) TSHRTDP1SMN1; SMN2PKMALDH1A1
SCHEMBL11131919 0.88 TSHR (0.65) TSHRTDP1SMN1; SMN2PKMALDH1A1
Glycerin SCHEMBL17711591 0.88 TSHR (0.47) TSHRTDP1SMN1; SMN2PKMALDH1A1
Ammonia Solution, Strong SCHEMBL29207431 0.86 TSHR (0.61) TSHRTDP1SMN1; SMN2PKMALDH1A1
SCHEMBL28545578 0.86 TSHR (0.61) TSHRTDP1SMN1; SMN2PKMALDH1A1
SCHEMBL11585580 0.86 TSHR (0.73) TSHRTDP1SMN1; SMN2PKMALDH1A1
SCHEMBL12944731 0.85 TSHR (0.56) TSHRTDP1SMN1; SMN2PKMALDH1A1
Methacrylic Acid SCHEMBL22345178 0.83 TSHR (0.55) TSHRTDP1SMN1; SMN2PKMALDH1A1
SCHEMBL8816347 0.83 TSHR (0.58) TSHRTDP1SMN1; SMN2PKMALDH1A1
SCHEMBL3804106 0.83 TSHR (0.63) TSHRTDP1SMN1; SMN2PKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118302403-A Process for forming alkyl esters of levulinic acid 巴斯夫欧洲公司 2024-07-05 CN claimed
CN-118234379-A Preservative composition 阿尔萨达股份公司 2024-06-21 CN claimed
EP-4367087-A1 SEPARATION PROCESS FOR THE PRODUCTION OF C5 OR C6 ALKANEDIOL Johnson Matthey Davy Technologies Limited (GB) 2024-05-15 EP claimed
EP-4355892-A1 PREPARING DIESTERS OF MALONIC ACID Lygos, Inc. (US) 2024-04-24 EP claimed
CN-117440941-A For the production of C 5 Or C 6 Process for the separation of alkanediol 庄信万丰戴维科技有限公司 2024-01-23 CN claimed
US-20230365485-A1 PROCESS FOR PRODUCING LEVULINIC ACID BIO ON S.P.A. (IT) 2023-11-16 US claimed
EP-4217336-A1 PROCESS FOR PRODUCING LEVULINIC ACID Bio-On S.p.A. (IT) 2023-08-02 EP claimed
CN-116529232-A Process for producing levulinic acid 博奥股份公司 2023-08-01 CN claimed
WO-2023281247-A1 SEPARATION PROCESS FOR THE PRODUCTION OF C5 OR C6 ALKANEDIOL JOHNSON MATTHEY DAVY TECHNOLOGIES LIMITED (GB) 2023-01-12 WO claimed
WO-2022265934-A1 PREPARING DIESTERS OF MALONIC ACID LYGOS, INC. (US) 2022-12-22 WO claimed
WO-2007012585-A1 FUEL COMPOSITIONS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2007-02-01 WO claimed
WO-2007012586-A1 FUEL COMPOSITIONS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2007-02-01 WO claimed
CN-1886488-A Fuel compositions comprising a c4-c8 alkyl levulinate SHELL INT RESEARCH (NL) 2006-12-27 CN claimed
US-20060247443-A1 Process for making 5-methyl -N-alkyl-2-pyrrolidone from alkyl amines and alkyl levulinate esters E. I. DU PONT DE NEMOURS AND COMPANY 2006-11-02 US claimed
EP-1685217-A1 FUEL COMPOSITIONS COMPRISING A C4-C8 ALKYL LEVULINATE SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2006-08-02 EP claimed
US-20050144835-A1 Fuel compositions SHELL OIL COMPANY 2005-07-07 US claimed
WO-2005044960-A1 FUEL COMPOSITIONS COMPRISING A C4-C8 ALKYL LEVULINATE SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2005-05-19 WO claimed
US-20040231233-A1 Fuel composition AAE TECHNOLOGIES INTERNATIONAL PLC (IE) 2004-11-25 US claimed
WO-2003002696-A1 FUEL COMPOSITION AAE TECHNOLOGIES INTERNATIONAL PLC (IE) 2003-01-09 WO claimed
US-5518585-A Neutral sizing agent for base paper stuff with the use of cationic plastics dispersions HOECHST AKTIENGESELLSCHAFT (DE) 1996-05-21 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-20060247443-A1 Process for making 5-methyl -N-alkyl-2-pyrrolidone from alkyl amines and alkyl levulinate esters ALDH18A1, ADH5, PRMT5 TSHR 3061/4885TDP1 2155/4885SMN1; SMN2 1671/4885
US-20230365485-A1 PROCESS FOR PRODUCING LEVULINIC ACID HPSE, LDHA, LCT TSHR 2483/4885TDP1 2505/4885SMN1; SMN2 4057/4885

“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.