SCHEMBL12347352

SCHEMBL12347352

CC(O)(F)C(=O)OCC1CCCCC1CO

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.39
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32

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
SCHEMBL685810 0.89 HMGCR (0.40) HMGCR
SCHEMBL12354819 0.80 HMGCR (0.32) HMGCR
SCHEMBL4402975 0.78 HMGCR (0.33) HMGCR
SCHEMBL12346454 0.77 NR1H2 (0.34)
SCHEMBL12346455 0.75 NR1H2 (0.31)
SCHEMBL12347355 0.74
SCHEMBL12705098 0.73 TDP1 (0.32) HMGCR
SCHEMBL15615426 0.72 ALDH1A1 (0.34) PDK1
SCHEMBL12346457 0.70 CHRM3 (0.33)
SCHEMBL15054351 0.70 ALDH1A1 (0.50) HMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110200936-A1 SALT AND PHOTORESIST COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 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-20110200936-A1 SALT AND PHOTORESIST COMPOSITION CONTAINING THE SAME RER1, AFF1, FRG1 HMGCR 3465/4885PDK1 4312/4885PDK2 4075/4885

“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.