SCHEMBL5745569

SCHEMBL5745569

CCCCCCC(OC(C)=O)C(C)=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.49
GPR84 Q9NQS5 7/20 0.44
FFAR1 O14842 1/20 0.44
ZDHHC7 Q9NXF8 1/20 0.43
PRKCA P17252 2/20 0.42
MAPT P10636 1/20 0.42
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
LMNA P02545 2/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL5166969 1.00 FAAH (0.49) FAAHGPR84FFAR1ZDHHC7PRKCA
SCHEMBL6523949 0.98 FAAH (0.46) FAAHGPR84FFAR1ZDHHC7PRKCA
SCHEMBL5745716 0.92 ALDH1A1 (0.41) FAAHPRKCALMNACA2
SCHEMBL8864069 0.86 GPR84 (0.52) FAAHGPR84FFAR1MAPTLCK
SCHEMBL7758405 0.86 GPR84 (0.52) FAAHGPR84FFAR1MAPTLCK
SCHEMBL4115971 0.86 FAAH (0.44) FAAHGPR84FFAR1ZDHHC7PRKCA
SCHEMBL7758415 0.86 GPR84 (0.52) FAAHGPR84FFAR1MAPTLCK
SCHEMBL7759354 0.86 GPR84 (0.52) FAAHGPR84FFAR1MAPTLCK
SCHEMBL8192721 0.86 GPR84 (0.52) FAAHGPR84FFAR1MAPTLCK
SCHEMBL2792012 0.86 GPR84 (0.52) FAAHGPR84FFAR1MAPTLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358144-B1 EPOTHILONE SYNTHESIS COMPONENTS I: ASYMMETRICALLY SUBSTITUTED ACYLOINS AND ACYLOIN DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND METHOD FOR THE PRODUCTION OF EPITHILONE AND EPOTHILONE DERIVATIVES R & D BIOPHARMACEUTICALS (DE) 2006-12-27 EP disclosed
US-6867333-B2 EPOTHILONE SYNTHESIS BUILDING BLOCKS III AND IV: ASYMMETRICALLY SUBSTITUTED ACYLOINS AND ACYLOIN DERIVATIVES, METHODS FOR THEIR PRODUCTION AND METHODS FOR THE PRODUCTION OF EPOTHILONES B, D AND EPOTHILONE DERIVATIVES MORPHOCHEM AG (DE) 2005-03-15 US disclosed
US-20040082651-A1 Epothilone synthesis building blocks III and IV: asymmetrically substituted acyloins and acyloin derivatives, methods for their production and methods for the production of epothilones B, D and epothilone derivatives R & D BIOPHARMACEUTICALS GMBH (DE) 2004-04-29 US disclosed
EP-1358144-A1 EPOTHILONE SYNTHESIS COMPONENTS III AND IV: ASYMMETRICALLY SUBSTITUTED ACYLOINS AND ACYLOIN DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND METHOD FOR THE PRODUCTION OF EPITHILONE B, D AND EPOTHILONE DERIVATIVES Morphochem AG (DE) 2003-11-05 EP disclosed
WO-2002032844-A2 EPOTHILONE SYNTHESIS COMPONENTS III AND IV: ASYMMETRICALLY SUBSTITUTED ACYLOINS AND ACYLOIN DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND METHOD FOR THE PRODUCTION OF EPITHILONE B, D AND EPOTHILONE DERIVATIVES MORPHOCHEM AG (DE) 2002-04-25 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 (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-20040082651-A1 Epothilone synthesis building blocks III and IV: asymmetrically substituted acyloins and acyloin derivatives, methods for their production and methods for the production of epothilones B, D and epothilone derivatives COASY, ACOX1, FDFT1 FAAH 1586/4885GPR84 3411/4885FFAR1 2120/4885

“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.