SCHEMBL7682479

SCHEMBL7682479

CC1(C)OC(=O)C=C(CI)O1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 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
SCHEMBL7235362 0.83 ALDH1A1 (0.33) ACHEALDH1A1TSHR
SCHEMBL12779376 0.79 ACHE (0.32) ACHETSHR
SCHEMBL3370983 0.79 ACHE (0.32) ACHETSHR
SCHEMBL6948155 0.79 ACHE (0.32) ACHETSHR
SCHEMBL12844899 0.79 ACHE (0.32) ACHETSHR
SCHEMBL7237918 0.78 PTPN1 (0.35) ACHEALDH1A1TSHR
SCHEMBL178866 0.76 L3MBTL1 (0.32) ACHE
SCHEMBL21751797 0.75 PTPN1 (0.32)
SCHEMBL4439425 0.75 LMNA (0.31)
SCHEMBL124902 0.75 ACHE (0.33) ACHE

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-6462223-B2 REACTING A 6-HALOMETHYL-4H-1,3-DIOXIN-4-ONE DERIVATIVE WITH CARBON MONOXIDE AND AN ALCOHOL OR WATER DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-10-08 US disclosed
US-6297388-B1 6-ALKOXYCARBONYLMETHYL-4H-1,3-DIOXIN-4-ONES PRODUCED BY REACTING A 6-HALOMETHYL-4H-1,3-DIOXIN-4-ONE WITH CARBON MONOXIDE, AN ALCOHOL OR WATER, AND 3-OXOPENTANEDICARBOXYLIC ACID ESTERS FURTHER PRODUCED BY REACTING ABOVE DERIVATIVES DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-02 US disclosed
US-20010020103-A1 Ester and process for producing the same DAICEL CHEMICAL INDUSTRIES, LTD. 2001-09-06 US disclosed
EP-1097931-A1 2-(4-Oxo-4H-1,3-dioxin-6-yl)acetates Daicel Chemical Industries, Ltd. (JP) 2001-05-09 EP 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-20010020103-A1 Ester and process for producing the same HPD, HAAO, CYP4A11 ACHE 1950/4885ALDH1A1 165/4885TSHR 2033/4885

“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.