SCHEMBL21180519

SCHEMBL21180519

CCOC(=O)C1(C(=O)COC(C)=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.34
OPRM1 P35372 6/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
OPRD1 P41143 3/20 0.33
OPRK1 P41145 3/20 0.33
SLC22A1 O15245 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
KCNH2 Q12809 1/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
FAAH O00519 1/20 0.32
PGR P06401 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31

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
SCHEMBL18134201 0.80 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10POLBOPRM1
SCHEMBL69496 0.80 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10POLBOPRM1
SCHEMBL374026 0.79 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10POLBOPRM1
SCHEMBL373936 0.78 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10POLBOPRM1
SCHEMBL28116182 0.77 ALOX15 (0.38) ALDH1A1LMNAHSD17B10POLBOPRM1
SCHEMBL27916979 0.77 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10TSHRPOLB
SCHEMBL374081 0.74 OPRM1 (0.41) ALDH1A1LMNAHSD17B10POLBOPRM1
SCHEMBL20109282 0.73 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10POLBOPRM1
SCHEMBL13545112 0.73 SMN1; SMN2 (0.41) ALDH1A1LMNAHSD17B10POLBOPRM1
SCHEMBL15797775 0.72 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10POLBOPRM1

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-10358417-B2 Method for preparing efficiently synthetic sitafloxacin intermediate (7S)-5-azaspiro[2.4]heptane-7-yl tert-butyl carbamate CHEN-STONE (GUANGZHOU) CO., LTD. (CN) 2019-07-23 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-10358417-B2 Method for preparing efficiently synthetic sitafloxacin intermediate (7S)-5-azaspiro[2.4]heptane-7-yl tert-butyl carbamate TYMS, CYP51A1, TPMT ALDH1A1 2182/4885LMNA 4437/4885HSD17B10 1707/4885

“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.