Sugi Predict

Sugi Predict / Compounds / SCHEMBL2491947

SCHEMBL2491947

SCHEMBL2491947

CCCCCC(C=O)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ZDHHC7 Q9NXF8 1/20 0.42
▸ MAPT P10636 2/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ DDAH1 O94760 1/20 0.39
▸ GAPDH P04406 1/20 0.39
▸ GPR84 Q9NQS5 5/20 0.38
▸ CA1 P00915 3/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ FAAH O00519 3/20 0.38
▸ CPB2 Q96IY4 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ LCK P06239 1/20 0.37
▸ PPARD Q03181 1/20 0.37
▸ ZDHHC20 Q5W0Z9 1/20 0.37
▸ ZDHHC2 Q9UIJ5 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ADH1B P00325 1/20 0.36
▸ ADH1C P00326 1/20 0.36
▸ ADH1A P07327 1/20 0.36

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
SCHEMBL6154829 0.98 ZDHHC7 (0.44) ZDHHC7MAPTGPR84FFAR1FAAH
SCHEMBL6155156 0.98 ZDHHC7 (0.44) ZDHHC7MAPTGPR84FFAR1FAAH
SCHEMBL3184670 0.98 ZDHHC7 (0.44) ZDHHC7MAPTGPR84FFAR1FAAH
SCHEMBL3177902 0.94 TSHR (0.42) ZDHHC7CA1FAAHCPB2TSHR
SCHEMBL1516015 0.86 ALDH1A1 (0.39) MAPTTRPA1CPB2TSHR
SCHEMBL29825065 0.85 NAAA (0.48) ZDHHC7MAPTFAAHTSHR
SCHEMBL3617253 0.83 ZDHHC7 (0.58) ZDHHC7MAPTGPR84CA1FFAR1
SCHEMBL14730979 0.83 ZDHHC7 (0.58) ZDHHC7MAPTGPR84CA1FFAR1
SCHEMBL20514344 0.83 ZDHHC7 (0.58) ZDHHC7MAPTGPR84CA1FFAR1
SCHEMBL15621974 0.82 TSHR (0.51) ZDHHC7MAPTTRPA1DDAH1GAPDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110423304-A The photo-thermal free radical polymerization preparation method and application of polyvinyl CHENGDU YOUWEI YIBI APPLIED TECH CO LTD 2019-11-08 — — CN disclosed
US-8029696-B2 Fused naphthalenes MERCK PATENT GMBH (DE) 2011-10-04 — — US disclosed
US-8029696-B2 Fused naphthalenes MERCK PATENT GMBH (DE) 2011-10-04 — — US disclosed
WO-2011060036-A1 BICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2011-05-19 — — WO disclosed
US-20100059711-A1 FUSED NAPHTHALENES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-03-11 — — US disclosed
US-20100059711-A1 FUSED NAPHTHALENES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-03-11 — — US disclosed
US-7666659-B2 Process for producing optically active 3-hydroxypropionic ester derivative KANEKA CORPORATION (JP) 2010-02-23 — — US disclosed
US-20100016627-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-HYDROXYPROPIONIC ESTER DERIVATIVE KANEKA CORPORATION (JP) 2010-01-21 — — US disclosed
WO-2008087611-A2 PYRROLIDINE- AND PIPERIDINE- BIS-AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-24 — — WO disclosed
US-7323448-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2008-01-29 — — US disclosed
US-20060276409-A1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2006-12-07 — — US disclosed
US-20060166342-A1 Process for producing optically active 3-hydroxypropionic ester derivative KANEKA CORPORATION (JP) 2006-07-27 — — US disclosed
EP-1568679-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-HYDROXYPROPIONIC ESTER DERIVATIVE KANEKA CORPORATION (JP) 2005-08-31 — — EP disclosed
US-20050014702-A1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2005-01-20 — — US disclosed
US-6787522-B2 BACTERIAL POLYPEPTIDE DEFORMYLASE (PDF) INHIBITORS, N-FORMYL HYDROXYLAMINE DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS (GB) 2004-09-07 — — US disclosed
EP-1052984-B1 ANTIBACTERIAL AGENTS VERNALIS OXFORD LTD (GB) 2004-05-12 — — EP disclosed
US-20020165167-A1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2002-11-07 — — US disclosed
US-6423690-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2002-07-23 — — US disclosed
EP-1052984-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-11-22 — — EP disclosed
WO-1999039704-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-08-12 — — WO 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 (5 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-20060276409-A1 Antibacterial agents CBR3, CBR1, SIGMAR1 ZDHHC7 3030/4885MAPT 4693/4885TRPA1 2607/4885
US-20100016627-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-HYDROXYPROPIONIC ESTER DERIVATIVE HPD, GRHPR, PAH ZDHHC7 346/4885MAPT 3877/4885TRPA1 3320/4885
US-20050014702-A1 Antibacterial agents CBR3, CBR1, SIGMAR1 ZDHHC7 3030/4885MAPT 4693/4885TRPA1 2607/4885
US-20100059711-A1 FUSED NAPHTHALENES CCNE2, CCNE1, F12 ZDHHC7 2082/4885MAPT 3032/4885TRPA1 1023/4885
US-20020165167-A1 Antibacterial agents CBR1, CBR3, SIGMAR1 ZDHHC7 2872/4885MAPT 4784/4885TRPA1 3390/4885

“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.