SCHEMBL769186

SCHEMBL769186

CCCCCCCCC=CCCCCCCCCC(CCCCCC/C=C\CCCCCCCC)CC1CNC(CCO)=N1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.34
LMNA P02545 1/20 0.34
EPHX2 P34913 1/20 0.33
FAAH O00519 1/20 0.32
CNR2 P34972 3/20 0.32
TRPV1 Q8NER1 3/20 0.32
CNR1 P21554 3/20 0.32

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
SCHEMBL217509 0.85 EPHX2 (0.35) LMNAEPHX2TRPV1
SCHEMBL611384 0.85 ALDH1A1 (0.37) LMNAEPHX2FAAHTRPV1
SCHEMBL7158875 0.81 EPHX2 (0.38) LMNAEPHX2FAAHTRPV1
SCHEMBL9098243 0.81 EPHX2 (0.38) LMNAEPHX2FAAHTRPV1
SCHEMBL8031341 0.80 MMP2 (0.36) LMNAEPHX2TRPV1
Acetic Acid SCHEMBL8855968 0.80 TERT (0.38) LMNAEPHX2FAAHCNR2
SCHEMBL11208336 0.79 EPHX2 (0.37) LMNAEPHX2
SCHEMBL8721243 0.77 EPHX2 (0.38) LMNAEPHX2FAAHTRPV1
SCHEMBL2007679 0.77 PSMD14 (0.34)
SCHEMBL9955184 0.77 PSMD14 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006316-B2 Organometallic compositions and coating compositions KING INDUSTRIES, INC. (US) 2015-04-14 US claimed
US-20120070569-A1 ORGANOMETALLIC COMPOSITIONS AND COATING COMPOSITIONS KING INDUSTRIES, INC. (US) 2012-03-22 US claimed
US-20090011124-A1 Complexes of zinc with substituted amidines and guanidines and aliphatic carboxylates, e.g., Zn(1-methylimidazole)2(acetate)2 and Zn(1-methylimidazole)2(2-ethylhexanoate)2; useful as catalysts for deblocking blocked isocyanates and in the production of urethanes and polyurethanes HSIEH BING 2009-01-08 US claimed
EP-1778778-A2 ORGANOMETALLIC COMPOSITIONS AND COATING COMPOSITIONS King Industries, Inc. (US) 2007-05-02 EP claimed
US-20060247341-A1 Complexes of zinc with substituted amidines and guanidines and aliphatic carboxylates, e.g., Zn(1-methylimidazole)2(acetate)2 and Zn(tetramethylguanidine)2(formate)2; useful as catalysts for deblocking blocked isocyanates and in the production of urethanes and polyurethanes KING INDUSTRIES, INC. 2006-11-02 US claimed
WO-2006022899-A2 ORGANOMETALLIC COMPOSITIONS AND COATING COMPOSITIONS KING INDUSTRIES, INC. (US) 2006-03-02 WO claimed
US-20060036007-A1 Organometallic compositions and coating compositions KING INDUSTRIES, INC. (US) 2006-02-16 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 (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-20120070569-A1 ORGANOMETALLIC COMPOSITIONS AND COATING COMPOSITIONS UROD, AOC1, AOC2 DEGS1 2447/4885LMNA 4431/4885EPHX2 1730/4885

“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.