SCHEMBL6864572

SCHEMBL6864572

CCCCCCCC1OC(=O)C1(C)C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
POLB P06746 1/20 0.41
FASN P49327 1/20 0.41
DAGLA Q9Y4D2 1/20 0.40
PTPN1 P18031 3/20 0.38
PRKCA P17252 3/20 0.38
ACP1 P24666 2/20 0.38
CDC25B P30305 2/20 0.38
STAT3 P40763 2/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL713890 0.79 CYP1A2 (0.39) CYP1A2POLBFASNDAGLAPTPN1
SCHEMBL10073523 0.79 CYP1A2 (0.39) CYP1A2POLBFASNDAGLAPTPN1
SCHEMBL31233823 0.74
SCHEMBL13282110 0.73 MEN1 (0.38) CYP1A2POLBFASNDAGLASTAT3
SCHEMBL9323706 0.73 CYP1A2 (0.40) CYP1A2POLBFASNDAGLAPTPN1
SCHEMBL18432999 0.72 POLB (0.54) POLBFASNDAGLAPTPN1PRKCA
SCHEMBL5195296 0.71 CYP1A2 (0.48) CYP1A2POLBFASNDAGLAPRKCA
SCHEMBL14715934 0.70 CYP1A2 (0.49) CYP1A2POLBFASNDAGLAPRKCA
SCHEMBL9618602 0.70 ALDH1A1 (0.44) CYP1A2POLBFASNPTPN1ACP1
SCHEMBL6907966 0.70 ALDH1A1 (0.44) CYP1A2POLBFASNPTPN1ACP1

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 2 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

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 CYP1A2 762/4885POLB 1632/4885FASN 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.