SCHEMBL5746283

SCHEMBL5746283

CC(=O)C(O)CC=C(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
PKM P14618 1/20 0.32
COPS5 Q92905 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 2/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL16579852 0.82 GRIK1 (0.48) GRIK1GRIK2FNTAFNTBKDM4E
SCHEMBL5745343 0.81 FNTA (0.62) FNTAFNTBKDM4EATMALDH1A1
SCHEMBL5747098 0.81 FNTA (0.62) FNTAFNTBKDM4EATMALDH1A1
SCHEMBL5745333 0.81 FNTA (0.62) FNTAFNTBKDM4EATMALDH1A1
SCHEMBL8348096 0.80
SCHEMBL2495856 0.80 FNTA (0.32) FNTAFNTB
SCHEMBL2495853 0.80 FNTA (0.32) FNTAFNTB
SCHEMBL2495854 0.80 FNTA (0.32) FNTAFNTB
SCHEMBL4058776 0.80 FNTA (0.32) FNTAFNTB
SCHEMBL4056041 0.80 FNTA (0.32) FNTAFNTB

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 GRIK1 4108/4885GRIK2 3866/4885FNTA 29/4885

“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.