SCHEMBL65183

SCHEMBL65183

CCCC(O)C(CO)CC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
TDP1 Q9NUW8 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 3/20 0.34
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 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
CYP3A4 P08684 3/20 0.32
NFKB1 P19838 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
Acetic Acid SCHEMBL9210784 0.83 LMNA (0.64) LMNATDP1TSHRCHRM1AKR1A1
SCHEMBL9203322 0.79 LMNA (0.80) LMNATDP1ALDH1A1TSHRCHRM1
Ethohexadiol SCHEMBL27591299 0.79 LMNA (0.79) LMNATDP1ALDH1A1TSHRCHRM1
SCHEMBL1295582 0.78 TDP1 (0.42) LMNATDP1ALDH1A1TSHRCHRM1
SCHEMBL8757790 0.77 LMNA (0.76) LMNATDP1ALDH1A1TSHRCHRM1
Ethohexadiol SCHEMBL9775641 0.76 LMNA (0.73) LMNATDP1TSHRCHRM1AKR1A1
Ethohexadiol SCHEMBL6282991 0.75 LMNA (1.00) LMNATDP1ALDH1A1TSHRCYP3A4
Ethohexadiol SCHEMBL38007 0.75 LMNA (1.00) LMNATDP1ALDH1A1TSHRCYP3A4
Ethohexadiol SCHEMBL6150812 0.74 LMNA (0.86) LMNATDP1ALDH1A1TSHRCHRM1
Ethohexadiol SCHEMBL3389796 0.73 LMNA (0.68) LMNATDP1TSHRCHRM1AKR1A1

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 1119 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118251501-A Production of butyl butyrate from lignocellulosic biomass by co-cultivation of E.coli-clostridium 新加坡国立大学 2024-06-25 CN claimed
US-20230415132-A1 DIRECT CATALYTIC CONVERSION OF ALCOHOLS TO OLEFINS OF HIGHER CARBON NUMBER WITH REDUCED ETHYLENE PRODUCTION UT BATTELLE LLC (US) 2023-12-28 US claimed
CN-117123191-A For CO 2 Adsorbed resin and preparation method thereof 中国科学院广州能源研究所 2023-11-28 CN claimed
US-11691129-B2 Direct catalytic conversion of alcohols to olefins of higher carbon number with reduced ethylene production UT-BATTELLE, LLC (US) 2023-07-04 US claimed
WO-2022271104-A2 PRODUCING BUTYL BUTYRATE FROM LIGNOCELLULOSIC BIOMASS THROUGH ESCHERICHIA COLI-CLOSTRIDIUM CO-CULTURE NATIONAL UNIVERSITY OF SINGAPORE (SG) 2022-12-29 WO claimed
WO-2022164840-A1 DIRECT CATALYTIC CONVERSION OF ALCOHOLS TO OLEFINS OF HIGHER CARBON NUMBER WITH REDUCED ETHYLENE PRODUCTION UT-BATTELLE, LLC (US) 2022-08-04 WO claimed
CN-114807248-A Method for producing short-chain alcohol compounds by microbial fermentation 大连理工大学 2022-07-29 CN claimed
US-20220234031-A1 DIRECT CATALYTIC CONVERSION OF ALCOHOLS TO OLEFINS OF HIGHER CARBON NUMBER WITH REDUCED ETHYLENE PRODUCTION U. S. DEPARTMENT OF ENERGY 2022-07-28 US claimed
CN-109022498-B Method for reducing discharge of acetone-butanol-ethanol fermentation waste liquid 北京化工大学 2022-06-21 CN claimed
CN-111088267-B Method for improving cell density of liquid fermentation of clostridium solvolyticum 南京工业大学 2022-05-03 CN claimed
US-20110112337-A1 Use of ionic liquids containing tricyanomethide anions as solvents for the extraction of alcohols from aqueous solutions MERCK PATENT GESELLSCHAFT (DE) 2011-05-12 US claimed
CN-102046599-A Use of ionic liquids with tetracyanoborate anions as a solvent for extraction of alcohols from aqueous solutions MERCK PATENT GMBH 2011-05-04 CN claimed
EP-2304021-A1 METHOD FOR THE COMBINED PRODUCTION OF BUTANOL AND HYDROGEN Stichting Dienst Landbouwkundig Onderzoek (NL) 2011-04-06 EP claimed
US-20110071324-A1 Use of ionic liquids with tetracyanoborate anions as a solvents for extraction of alcohols from aqueous solutions MERCK PATENT GESELLSCHAFT (DE) 2011-03-24 US claimed
US-20100263264-A1 METHOD OF INCOPORATING ALCOHOL INTO FUELS HAVING A HIGH AROMATIC COMPOUND CONTENT IFP (FR) 2010-10-21 US claimed
EP-2162397-A2 METHOD OF INCORPORATING ALCOHOL INTO FUELS HAVING A HIGH CONTENT OF AROMATIC COMPOUNDS IFP (FR) 2010-03-17 EP claimed
WO-2010000649-A1 METHOD FOR THE COMBINED PRODUCTION OF BUTANOL AND HYDROGEN STICHTING DIENST LANDBOUWKUNDIG ONDERZOEK (NL) 2010-01-07 WO claimed
WO-2009016290-A2 METHOD OF INCORPORATING ALCOHOL INTO FUELS HAVING A HIGH CONTENT OF AROMATIC COMPOUNDS IFP (FR) 2009-02-05 WO claimed
WO-2008111941-A2 PROCESS AND SYSTEM FOR BUTANOL PRODUCTION YANG FANGXIAO (US) 2008-09-18 WO claimed
US-5755967-A REMOVING ACETONE AND/OR BUTANOL FROM AQUEOUS SOLUTION INCLUDING ETHANOL USING PERVAPORATION MEMBRANE COMPRISING SILICALITE PARTICLES EMBEDDED IN POLYMER MATRIX BOARD OF REGENTS 1998-05-26 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-20110112337-A1 Use of ionic liquids containing tricyanomethide anions as solvents for the extraction of alcohols from aqueous solutions ADH1C, ADH5, SLC6A12 LMNA 1595/4885TDP1 402/4885ALDH1A1 264/4885
US-20110071324-A1 Use of ionic liquids with tetracyanoborate anions as a solvents for extraction of alcohols from aqueous solutions ADH1C, SLC6A6, ADH5 LMNA 1137/4885TDP1 1306/4885ALDH1A1 1093/4885

“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.