SCHEMBL713890

SCHEMBL713890

CCCCC[C@@H]1OC(=O)[C@]1(C)CCCC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.39
POLB P06746 1/20 0.36
FASN P49327 1/20 0.36
STAT3 P40763 2/20 0.36
DAGLA Q9Y4D2 1/20 0.36
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
PRKCA P17252 1/20 0.34
PTPN1 P18031 3/20 0.33
ACP1 P24666 2/20 0.33
CDC25B P30305 2/20 0.33

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
SCHEMBL10073523 1.00 CYP1A2 (0.39) CYP1A2POLBFASNSTAT3DAGLA
SCHEMBL13282110 0.94 MEN1 (0.38) CYP1A2POLBFASNSTAT3DAGLA
SCHEMBL6864572 0.79 CYP1A2 (0.43) CYP1A2POLBFASNSTAT3DAGLA
SCHEMBL712684 0.75 POLB (0.41) CYP1A2POLBFASNDAGLA
SCHEMBL712649 0.70 MMP2 (0.44) MEN1HTTKMT2A
SCHEMBL713868 0.69 POLB (0.34) CYP1A2POLBFASNSTAT3DAGLA
SCHEMBL713616 0.69 POLB (0.34) CYP1A2POLBFASNSTAT3DAGLA
SCHEMBL14715934 0.69 CYP1A2 (0.49) CYP1A2POLBFASNSTAT3DAGLA
SCHEMBL9323706 0.68 CYP1A2 (0.40) CYP1A2POLBFASNSTAT3DAGLA
SCHEMBL27584515 0.67 CYP1A2 (0.46) CYP1A2POLBFASNDAGLAPRKCA

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 claimed
US-20100173982-A1 NOVEL METHOD FOR THE ASYMMETRIC SYNTHESIS OF BETA-LACTONE COMPOUNDS THE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-07-08 US claimed
US-20060258620-A1 Novel method for the asymmetric synthesis of beta-lactone compounds BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2006-11-16 US claimed
US-8124794-B2 Method for the asymmetric synthesis of beta-lactone compounds SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-02-28 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

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-20100173982-A1 NOVEL METHOD FOR THE ASYMMETRIC SYNTHESIS OF BETA-LACTONE COMPOUNDS FASN, COASY, FADS1 CYP1A2 768/4885POLB 1749/4885FASN 1/4885
US-20060258620-A1 Novel method for the asymmetric synthesis of beta-lactone compounds FASN, COASY, FADS1 CYP1A2 768/4885POLB 1749/4885FASN 1/4885

“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.