SCHEMBL7085873

SCHEMBL7085873

CC1CC(C)C(=O)C(C)C1=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL2692834 0.86
SCHEMBL16657577 0.86
SCHEMBL18588303 0.86
SCHEMBL5467629 0.73 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL12957557 0.73 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL13049849 0.73
SCHEMBL2349094 0.73 SMN1; SMN2 (0.39) CA1CA2CA4KMT2ASMN1; SMN2
SCHEMBL5918265 0.73 CA1 (0.32) CA1CA2CA4KMT2ASMN1; SMN2
SCHEMBL8162448 0.73 MAPT (0.37)
SCHEMBL873396 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119752742-A Pre-harvest physiological management method for improving color and smell quality of spirulina 中国海洋大学 2025-04-04 CN disclosed
US-20140045779-A1 COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION XU LIFENG (US) 2014-02-13 US disclosed
US-20030149293-A1 Method for producing 1,3-cyclohexanediol compound MITSUBISHI CHEMICAL CORPORATION (JP) 2003-08-07 US disclosed
EP-1333019-A1 Method for producing 1,3-cyclohexanediol compound MITSUBISHI CHEMICAL CORPORATION (JP) 2003-08-06 EP disclosed
EP-0061669-B1 PROCESS FOR THE PREPARATION OF CYCLOHEXANE-1,3-DIONES, AND SOME BICYCLIC CYCLOHEXANE-1,3-DIONES BASF Aktiengesellschaft (DE) 1984-07-25 EP disclosed
EP-0061669-A1 Process for the preparation of cyclohexane-1,3-diones, and some bicyclic cyclohexane-1,3-diones BASF Aktiengesellschaft (DE) 1982-10-06 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 (2 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-20140045779-A1 COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION ALPI, SI, SLC5A11 CA1 315/4885CA2 346/4885CA4 490/4885
US-20030149293-A1 Method for producing 1,3-cyclohexanediol compound NISCH, HSD11B2, ACMSD CA1 63/4885CA2 5/4885CA4 7/4885

“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.