SCHEMBL5830541

SCHEMBL5830541

CC(CCCCCOC(N)=O)OC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
LMNA P02545 4/20 0.44
CHRM2 P08172 3/20 0.44
CHRM4 P08173 3/20 0.44
CHRM5 P08912 3/20 0.44
CHRM1 P11229 3/20 0.44
CHRM3 P20309 3/20 0.44
TSHR P16473 2/20 0.44
CYP2C9 P11712 1/20 0.44
MAPT P10636 1/20 0.43
FAAH O00519 5/20 0.42
HTR1A P08908 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRNA7 P36544 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ALOX15 P16050 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
SCHEMBL15345291 0.85 LMNA (0.44) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL28994502 0.82 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL28945786 0.82 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL28945769 0.82 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL28945804 0.82 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL24632190 0.82 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL28401987 0.82 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL11248277 0.82 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL28945776 0.82 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL28487080 0.82 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119140149-A Catalyst for preparing diisocyanate from carbamate and diisocyanate preparation method 山东华鲁恒升化工股份有限公司 2024-12-17 CN claimed
CN-118085276-A High-crosslinking high-performance non-isocyanate polyurethane and preparation method and application thereof 南京工业大学 2024-05-28 CN disclosed
CN-113024417-B Method and device for strengthening separation in isocyanate preparation 中国科学院过程工程研究所 2021-08-31 CN disclosed
CN-113024417-A Method and device for strengthening separation in isocyanate preparation 中国科学院过程工程研究所 2021-06-25 CN disclosed
CN-1796439-A Environment friendly method for synthesizing polyurethane UNIV HUADONG TECHNOLOGY (CN) 2006-07-05 CN disclosed
US-6998364-B2 Process for the formation of urethane via transcarbamation RHODIA CHIMIE (FR) 2006-02-14 US disclosed
US-20040044242-A1 Use as catalyst for forming urethanes,of fluorinated and of trivalent metal acid salts, composition containing same and methods using same VENCOREX FRANCE (FR) 2004-03-04 US disclosed
CN-1469888-A Use as catalyst for forming urethanes, of fluorinated and trivalent metal acid salts, composition containing same and methods using same �޵��ǻ�ѧ��˾ 2004-01-21 CN disclosed
US-5235062-A Transesterification of N-hydroxyethyloxazolidine with dicarbamate of diamine in presence of alkali metal alcoholate catalyst ENICHEM SYNTHESIS S.P.A. (IT) 1993-08-10 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 (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-20040044242-A1 Use as catalyst for forming urethanes,of fluorinated and of trivalent metal acid salts, composition containing same and methods using same PHF2, UBE2T, UHRF1 CHRNB2 1831/4885CHRNA4 2192/4885CHRNB4 2010/4885

“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.