SCHEMBL6077847

SCHEMBL6077847

C=CC(C)C(C)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.36
TSHR P16473 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
BLM P54132 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CACNA2D1 P54289 2/20 0.34
CACNB3 P54284 1/20 0.34
CACNA1C Q13936 1/20 0.34
PGR P06401 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
CACNA2D2 Q9NY47 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL14094928 0.81 ALDH1A1 (0.46) TSHRTDP1
Acrylic Acid SCHEMBL9720192 0.78 LMNA (0.50) SLC22A6TSHRSLC6A2SLC6A4BLM
SCHEMBL21404243 0.77 SLC6A2 (0.52) TSHRSLC6A2SLC6A4BLMSLC6A3
SCHEMBL21404244 0.77 SLC6A2 (0.52) TSHRSLC6A2SLC6A4BLMSLC6A3
SCHEMBL11734818 0.77 TDP1 (0.54) SLC22A6TSHRSLC6A2SLC6A4BLM
SCHEMBL5077944 0.76 SLC22A6 (0.50) SLC22A6TSHRTDP1CACNA2D1CACNB3
SCHEMBL304303 0.76 SLC22A6 (0.50) SLC22A6TSHRTDP1CACNA2D1CACNB3
SCHEMBL614363 0.75
SCHEMBL8147302 0.75
SCHEMBL13176947 0.74

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-7038064-B2 Process for producing hydroxylactones DIACEL CHEMICAL INDUSTRIES, LTD. (JP) 2006-05-02 US disclosed
EP-1302469-B1 PROCESS FOR PRODUCING HYDROXYLACTONE DAICEL CHEM (JP) 2005-03-30 EP disclosed
US-20040024228-A1 Process for producing hydroxylactones DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-02-05 US disclosed
EP-1302469-A1 PROCESS FOR PRODUCING HYDROXYLACTONE Daicel Chemical Industries, Ltd. (JP) 2003-04-16 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-20040024228-A1 Process for producing hydroxylactones HAO2, HAO1, DUOX2 SLC22A6 3166/4885TSHR 3370/4885SLC6A2 4682/4885

“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.