SCHEMBL23866985

SCHEMBL23866985

COC(=O)CCc1cccc(CC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.49
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
SLC7A5 Q01650 1/20 0.43
PTPN1 P18031 2/20 0.42
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
BRD4 O60885 1/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
TLR7 Q9NYK1 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CNR2 P34972 1/20 0.39

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
SCHEMBL19540906 0.85 SIRT2 (0.52) SIRT2KDM4EALDH1A1LMNASLC7A5
SCHEMBL5262346 0.84 SIRT2 (0.49) SIRT2KDM4EALDH1A1LMNASLC7A5
SCHEMBL17683316 0.83 SIRT2 (0.50) SIRT2CYP4F2CYP4A11TLR7
SCHEMBL12255149 0.82 SIRT2 (0.52) SIRT2KDM4EALDH1A1LMNASLC7A5
SCHEMBL28655132 0.82 SLC7A5 (0.57) SIRT2KDM4EALDH1A1LMNASLC7A5
SCHEMBL1410879 0.82 SIRT2 (0.52) SIRT2KDM4EALDH1A1LMNASLC7A5
SCHEMBL12993003 0.81 SIRT2 (0.49) SIRT2KDM4EALDH1A1LMNAPTPN1
SCHEMBL23866994 0.81 CYP4F2 (0.46) KDM4EALDH1A1CYP4F2CYP4A11
SCHEMBL5043214 0.81 LOXL2 (0.57) SIRT2KDM4EALDH1A1LMNASLC7A5
SCHEMBL7716761 0.81 SIRT2 (0.51) SIRT2KDM4EALDH1A1LMNASLC7A5

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-20210300903-A1 SIGMA RECEPTOR BINDERS UNIV TEXAS (US) 2021-09-30 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-20210300903-A1 SIGMA RECEPTOR BINDERS SIGMAR1, OPRK1, OPRL1 SIRT2 4498/4885KDM4E 3415/4885ALDH1A1 307/4885

“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.