SCHEMBL2400835

SCHEMBL2400835

COC(=O)[C@@H](C)CCCC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
FOLH1 Q04609 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PAOX Q6QHF9 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ACHE P22303 1/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
TSHR P16473 1/20 0.34
CA14 Q9ULX7 1/20 0.33
ALOX5 P09917 1/20 0.33
ESRRB O95718 1/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL2400089 1.00 CA1 (0.38) CA1CA2FOLH1ZDHHC7ALDH1A1
SCHEMBL685012 0.87 ALDH1A1 (0.39) CA1CA2ZDHHC7ALDH1A1SMN1; SMN2
SCHEMBL18124773 0.87 ALDH1A1 (0.39) CA1CA2ZDHHC7ALDH1A1SMN1; SMN2
SCHEMBL17305959 0.87 ALDH1A1 (0.39) CA1CA2ZDHHC7ALDH1A1SMN1; SMN2
SCHEMBL13640440 0.84 CA1 (0.45) CA1CA2FOLH1ZDHHC7SMN1; SMN2
SCHEMBL710385 0.83 TSHR (0.48) CA1CA2FOLH1ALDH1A1TSHR
SCHEMBL579411 0.83 TSHR (0.56) CA1CA2FOLH1ZDHHC7ALDH1A1
SCHEMBL18828365 0.82 PTPN1 (0.41) CA1CA2FOLH1ZDHHC7SMN1; SMN2
SCHEMBL7105090 0.79 SMN1; SMN2 (0.46) CA1CA2ZDHHC7ALDH1A1SMN1; SMN2
SCHEMBL11298047 0.78 CA1 (0.61) CA1CA2ZDHHC7TSHR

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-8026081-B2 Method of producing optically active (S)-7-hydroxy-6-methylheptan-2-one and precursor thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-09-27 US disclosed
US-20090118534-A1 METHOD OF PRODUCING OPTICALLY ACTIVE (S)-7-HYDROXY-6-METHYLHEPTAN-2-ONE AND PRECURSOR THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-07 US disclosed
EP-2003211-A9 PROCESS FOR PRODUCING OPTICALLY ACTIVE (S)-7-HYDROXY-6-METHYLHEPTANE-2-ONE AND PRECURSOR THEREOF Sumitomo Chemical Company, Limited (JP) 2009-05-06 EP disclosed
EP-2003211-A2 PROCESS FOR PRODUCING OPTICALLY ACTIVE (S)-7-HYDROXY-6-METHYLHEPTANE-2-ONE AND PRECURSOR THEREOF Sumitomo Chemical Company, Limited (JP) 2008-12-17 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-20090118534-A1 METHOD OF PRODUCING OPTICALLY ACTIVE (S)-7-HYDROXY-6-METHYLHEPTAN-2-ONE AND PRECURSOR THEREOF APEH, BCHE, CYP51A1 CA1 2334/4885CA2 3067/4885FOLH1 514/4885

“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.