SCHEMBL713868

SCHEMBL713868

C=C/C=C/[C@]1(C)C(=O)O[C@@H]1CCCCC

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
FASN P49327 1/20 0.34
STAT3 P40763 2/20 0.34
CYP1A2 P05177 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.31
DAGLA Q9Y4D2 1/20 0.31
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL713616 1.00 POLB (0.34) POLBFASNSTAT3CYP1A2SIRT2
SCHEMBL6864572 0.71 CYP1A2 (0.43) POLBFASNSTAT3CYP1A2DAGLA
SCHEMBL10073523 0.69 CYP1A2 (0.39) POLBFASNSTAT3CYP1A2SIRT2
SCHEMBL713890 0.69 CYP1A2 (0.39) POLBFASNSTAT3CYP1A2SIRT2
SCHEMBL13282110 0.64 MEN1 (0.38) POLBFASNSTAT3CYP1A2DAGLA
SCHEMBL9626790 0.64 DAGLA (0.40) POLBFASNCYP1A2DAGLA
SCHEMBL9626779 0.64 DAGLA (0.40) POLBFASNCYP1A2DAGLA
SCHEMBL14715934 0.62 CYP1A2 (0.49) POLBFASNSTAT3CYP1A2DAGLA
SCHEMBL712684 0.61 POLB (0.41) POLBFASNCYP1A2DAGLA
SCHEMBL9323706 0.60 CYP1A2 (0.40) POLBFASNSTAT3CYP1A2DAGLA

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-8124794-B2 Method for the asymmetric synthesis of beta-lactone compounds SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-02-28 US disclosed
US-7799826-B2 Inhibition of fatty acid synthase by beta-lactones and other compounds for inhibition of cellular proliferation BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-09-21 US disclosed
US-20100173982-A1 NOVEL METHOD FOR THE ASYMMETRIC SYNTHESIS OF BETA-LACTONE COMPOUNDS THE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-07-08 US disclosed
US-7728153-B2 Method for the asymmetric synthesis of beta-lactone compounds THE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-06-01 US disclosed
US-20060258620-A1 Novel method for the asymmetric synthesis of beta-lactone compounds BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2006-11-16 US disclosed
US-20040024050-A1 Inhibition of fatty acid synthase by beta-lactones and other compounds for inhibition of cellular proliferation BURNHAM INSTITUTE FOR MEDICAL RESEARCH 2004-02-05 US disclosed
WO-2003088975-A1 INHIBITION OF FATTY ACID SYNTHASE BY BETA-LACTONES AND OTHER COMPOUNDS FOR INHIBITION OF CELLULAR PROLIFERATION THE BURNHAM INSTITUTE (US) 2003-10-30 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 (3 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-20100173982-A1 NOVEL METHOD FOR THE ASYMMETRIC SYNTHESIS OF BETA-LACTONE COMPOUNDS FASN, COASY, FADS1 POLB 1749/4885FASN 1/4885STAT3 2635/4885
US-20060258620-A1 Novel method for the asymmetric synthesis of beta-lactone compounds FASN, COASY, FADS1 POLB 1749/4885FASN 1/4885STAT3 2635/4885
US-20040024050-A1 Inhibition of fatty acid synthase by beta-lactones and other compounds for inhibition of cellular proliferation FASN, FADS1, FADS2 POLB 1632/4885FASN 1/4885STAT3 1262/4885

“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.