SCHEMBL6866727

SCHEMBL6866727

CC1C(=O)OC1(C)C1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.33
HSD11B1 P28845 3/20 0.32
APP P05067 1/20 0.32
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL9874539 1.00 LMNA (0.34) LMNATSHRKMT2AHSD11B1APP
SCHEMBL6866723 1.00 LMNA (0.34) LMNATSHRKMT2AHSD11B1APP
SCHEMBL9876785 1.00 LMNA (0.34) LMNATSHRKMT2AHSD11B1APP
SCHEMBL19628669 0.64 APP (0.37) LMNATSHRKMT2AHSD11B1APP
SCHEMBL11273130 0.63 CHRM2 (0.31)
SCHEMBL17220166 0.62 TP53 (0.33) LMNATSHRKMT2AAPPBACE1
SCHEMBL9813673 0.61 HSD11B1 (0.40) LMNATSHRKMT2AHSD11B1APP
SCHEMBL9195238 0.61 MAPT (0.42) LMNATSHRKMT2AHSD11B1BACE1
SCHEMBL8686102 0.61 APP (0.35) KMT2AHSD11B1APPBACE1BACE2
SCHEMBL8686431 0.61 APP (0.35) KMT2AHSD11B1APPBACE1BACE2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5004815-A Combining thioc ester with ketone or aldehyde to form adduct, cyclization MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1991-04-02 US disclosed
WO-1990012792-A1 METHOD FOR SYNTHESIZING β-LACTONES AND ALKENES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1990-11-01 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-20040024050-A1 Inhibition of fatty acid synthase by beta-lactones and other compounds for inhibition of cellular proliferation FASN, FADS1, FADS2 LMNA 1901/4885TSHR 4377/4885KMT2A 3756/4885

“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.