SCHEMBL716047

SCHEMBL716047

O=C(O)CCCCCCCCCC[C@@H]1OC(=O)[C@H]1CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 3/20 0.43
PRKD3 O94806 1/20 0.43
PRKCG P05129 1/20 0.43
PRKCB P05771 1/20 0.43
PRKCH P24723 1/20 0.43
PRKCE Q02156 1/20 0.43
PRKCQ Q04759 1/20 0.43
PRKCD Q05655 1/20 0.43
PRKD1 Q15139 1/20 0.43
LMNA P02545 3/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
PMP22 Q01453 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
ABL1 P00519 2/20 0.41
IDE P14735 2/20 0.41
RIN1 Q13671 2/20 0.41
PPARG P37231 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
SCHEMBL6061849 0.79 PRKCA (0.40) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL829681 0.73 TSHR (0.57) LMNATSHRNFKB1PMP22GPR84
SCHEMBL11579695 0.73 TSHR (0.57) LMNATSHRNFKB1PMP22GPR84
SCHEMBL829680 0.73 TSHR (0.57) LMNATSHRNFKB1PMP22GPR84
SCHEMBL829682 0.73 TSHR (0.57) LMNATSHRNFKB1PMP22GPR84
SCHEMBL9387161 0.71 TSHR (0.55) LMNATSHRNFKB1PMP22GPR84
SCHEMBL4964807 0.71 TSHR (0.55) LMNATSHRNFKB1PMP22GPR84
SCHEMBL13599892 0.71 GPR84 (0.57) TSHRGPR84FFAR1FFAR4PPARG
SCHEMBL320497 0.71 GPR84 (0.64) LMNATSHRNFKB1PMP22GPR84
SCHEMBL12853398 0.71 GPR84 (0.64) LMNATSHRNFKB1PMP22GPR84

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 PRKCA 966/4885PRKD3 2362/4885PRKCG 1172/4885
US-20060258620-A1 Novel method for the asymmetric synthesis of beta-lactone compounds FASN, COASY, FADS1 PRKCA 966/4885PRKD3 2362/4885PRKCG 1172/4885
US-20040024050-A1 Inhibition of fatty acid synthase by beta-lactones and other compounds for inhibition of cellular proliferation FASN, FADS1, FADS2 PRKCA 916/4885PRKD3 2790/4885PRKCG 1235/4885

“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.