SCHEMBL712684

SCHEMBL712684

CCCCCC1OC(=O)C1(CCCC)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
FASN P49327 1/20 0.41
DAGLA Q9Y4D2 1/20 0.35
CYP1A2 P05177 2/20 0.34

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
SCHEMBL713574 0.77 ALDH1A1 (0.41) FASNDAGLA
SCHEMBL713890 0.75 CYP1A2 (0.39) POLBFASNDAGLACYP1A2
SCHEMBL10073523 0.75 CYP1A2 (0.39) POLBFASNDAGLACYP1A2
SCHEMBL13282110 0.69 MEN1 (0.38) POLBFASNDAGLACYP1A2
SCHEMBL6864572 0.69 CYP1A2 (0.43) POLBFASNDAGLACYP1A2
SCHEMBL603685 0.69 POLB (0.38) POLBFASN
SCHEMBL712649 0.67 MMP2 (0.44)
SCHEMBL606836 0.66 POLB (0.38) POLBFASN
SCHEMBL2320721 0.66 POLB (0.38) POLBFASN
SCHEMBL6516632 0.65 CDC25B (0.36) POLBFASN

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 POLB 1749/4885FASN 1/4885DAGLA 228/4885
US-20060258620-A1 Novel method for the asymmetric synthesis of beta-lactone compounds FASN, COASY, FADS1 POLB 1749/4885FASN 1/4885DAGLA 228/4885

“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.