SCHEMBL339014

SCHEMBL339014

CCCCCCCCCCCCCCCCOC(=O)C1CO1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.50
RAD52 P43351 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
EPHX1 P07099 1/20 0.47
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PPARG P37231 3/20 0.43
HCAR2 Q8TDS4 1/20 0.43
GBA2 Q9HCG7 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
FAAH O00519 1/20 0.42

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
SCHEMBL2496758 1.00 NAAA (0.50) NAAARAD52NPSR1EPHX1TSHR
SCHEMBL27157059 1.00 NAAA (0.50) NAAARAD52NPSR1EPHX1TSHR
SCHEMBL2500887 1.00 NAAA (0.50) NAAARAD52NPSR1EPHX1TSHR
SCHEMBL8164076 1.00 NAAA (0.50) NAAARAD52NPSR1EPHX1TSHR
SCHEMBL3277815 1.00 NAAA (0.50) NAAARAD52NPSR1EPHX1TSHR
SCHEMBL2504968 1.00 NAAA (0.50) NAAARAD52NPSR1EPHX1TSHR
SCHEMBL27978920 0.98 NAAA (0.47) NAAARAD52NPSR1EPHX1TSHR
SCHEMBL338399 0.92 ALDH1A1 (0.48) NAAARAD52NPSR1EPHX1TSHR
SCHEMBL3043061 0.92 ALDH1A1 (0.48) NAAARAD52NPSR1EPHX1TSHR
Ethylene SCHEMBL15653960 0.89 ALDH1A1 (0.45) NAAARAD52NPSR1EPHX1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1078008-B1 MICROFIBRILLAR CELLULOSE DERIVATIZED TO COMPRISE ANIONIC CHARGES HERCULES INC (US) 2012-10-17 EP disclosed
US-8097731-B2 Reaction products of mercaptobenzothiazoles, mercaptothiazolines, and mercaptobenzimidalzoles with epoxides as lubricant additives CROMPTON CORPORATION (US) 2012-01-17 US disclosed
US-8048832-B2 1,3 dithiolane-2-thione additives for lubricants and fuels CHEMTURA CORPORATION (US) 2011-11-01 US disclosed
EP-1654342-B1 REACTION PRODUCTS OF MERCAPTOBENZOTHIAZOLES, MERCAPTOTHIAZOLINES, AND MERCAPTOBENZIMIDAZOLES WITH EPOXIDES AS LUBRICANT ADDITIVES CHEMTURA CORP (US) 2011-01-19 EP disclosed
US-20090181870-A1 1,3 DITHIOLANE-2-THIONE ADDITIVES FOR LUBRICANTS AND FUELS CHEMTURA CORPORATION (US) 2009-07-16 US disclosed
US-20090076279-A1 REACTION PRODUCTS OF MERCAPTOBENZOTHIAZOLES, MERCAPTOTHIAZOLINES, AND MERCAPTOBENZIMIDAZOLES WITH EPOXIDES AS LUBRICANT ADDITIVES CHEMTURA CORPORATION 2009-03-19 US disclosed
US-7442673-B2 Reaction products of mercaptobenzothiazoles, mercaptothiazolines, and mercaptobenzimidazoles with epoxides as lubricant additives CROMPTON CORPORATION (US) 2008-10-28 US disclosed
EP-1809726-A2 1,3-DITHIOLANE-2-THIONE ADDITIVES FOR LUBRICANTS AND FUELS CHEMTURA CORPORATION (US) 2007-07-25 EP disclosed
EP-1654342-A1 REACTIONS PRODUCTS OF MERCAPTOBENZOTHIAZOLES, MERCAPTOTHIAZOLINES, AND MERCAPTOBENZIMIDAZOLES WITH EPOXIDES AS LUBRICANT ADDITIVES CHEMTURA CORPORATION (US) 2006-05-10 EP disclosed
WO-2006047011-A2 1,3-DITHIOLANE-2-THIONE ADDITIVES FOR LUBRICANTS AND FUELS CHEMTURA CORPORATION (US) 2006-05-04 WO disclosed
WO-2005019396-A1 REACTIONS PRODUCTS OF MERCAPTOBENZOTHIAZOLES, MERCAPTOTHIAZOLINES, AND MERCAPTOBENZIMIDAZOLES WITH EPOXIDES AS LUBRICANT ADDITIVES CHEMTURA CORPORATION (US) 2005-03-03 WO disclosed
US-20050037931-A1 Reaction products of mercaptobenzothiazoles, mercaptothiazolines, and mercaptobenzimidazoles with epoxides as lubricant additives CHEMTURA CORPORATION 2005-02-17 US disclosed
US-6602994-B1 Substituents that provide electrostatic (anionic charge) and/or steric functionality; forms gel in water; cellulose; used in paper and food compositions, non-comestible spreadable compositions, emulsions, dispersion, and foams HERCULES INCORPORATED 2003-08-05 US disclosed
EP-1078008-A2 DERIVATIZED MICROFIBRILLAR POLYSACCHARIDE HERCULES INCORPORATED (US) 2001-02-28 EP disclosed
WO-2000047628-A2 DERIVATIZED MICROFIBRILLAR POLYSACCHARIDE HERCULES INCORPORATED (US) 2000-08-17 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 (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-20090076279-A1 REACTION PRODUCTS OF MERCAPTOBENZOTHIAZOLES, MERCAPTOTHIAZOLINES, AND MERCAPTOBENZIMIDAZOLES WITH EPOXIDES AS LUBRICANT ADDITIVES EPX, CYP2E1, AOX1 NAAA 3788/4885RAD52 630/4885NPSR1 3773/4885
US-20050037931-A1 Reaction products of mercaptobenzothiazoles, mercaptothiazolines, and mercaptobenzimidazoles with epoxides as lubricant additives CBR1, CBR3, OR10J3 NAAA 4445/4885RAD52 1519/4885NPSR1 551/4885

“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.