SCHEMBL6079946

SCHEMBL6079946

CCC1(CC(=O)O)CCCC1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 11/20 0.36
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 2/20 0.33
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32
CACNA2D1 P54289 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.31

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
SCHEMBL10727790 0.95 CYP2C19 (0.37) DGAT1CYP2C19CYP1A2USP2ALDH1A1
SCHEMBL10727800 0.95 CYP2C19 (0.37) DGAT1CYP2C19CYP1A2USP2ALDH1A1
SCHEMBL1617974 0.95 CYP2C19 (0.37) DGAT1CYP2C19CYP1A2USP2ALDH1A1
SCHEMBL10412652 0.93 CYP2C19 (0.40) DGAT1CYP2C19CYP1A2USP2ALDH1A1
SCHEMBL8624485 0.82 GRIN2D (0.36) CYP2C19LMNATSHR
SCHEMBL8663002 0.82 SIRT2 (0.41) ALDH1A1TSHR
SCHEMBL2765891 0.81 DGAT1 (0.37) DGAT1CYP2C19CYP1A2USP2ALDH1A1
SCHEMBL10729067 0.77 MME (0.37) LMNATSHR
SCHEMBL10729071 0.77 MME (0.37) LMNATSHR
SCHEMBL10798606 0.77 GPR84 (0.39) ALDH1A1LMNATSHR

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-20060167281-A1 1,2,4- Trioxepanes as precursors for lactones AKZO NOBEL N.V. (NL) 2006-07-27 US claimed
US-20060167281-A1 1,2,4- Trioxepanes as precursors for lactones AKZO NOBEL N.V. (NL) 2006-07-27 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 (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-20060167281-A1 1,2,4- Trioxepanes as precursors for lactones CYP4X1, LSS, RIOX2 DGAT1 2719/4885CYP2C19 1173/4885CYP1A2 201/4885

“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.