SCHEMBL23219622

SCHEMBL23219622

CC(C)COC(=O)CCC1CC(=O)OC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
EPHX2 P34913 1/20 0.33
TDP1 Q9NUW8 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
NFKB1 P19838 1/20 0.31
PTGS1 P23219 1/20 0.31
APEX1 P27695 1/20 0.31
THPO P40225 1/20 0.31
PMP22 Q01453 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARG P37231 1/20 0.30
NCOA2 Q15596 1/20 0.30
NCOA1 Q15788 1/20 0.30

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
SCHEMBL11983878 0.78 ALDH1A1 (0.35) TSHRALDH1A1
SCHEMBL23219621 0.78 ALDH1A1 (0.35) TSHRALDH1A1GAAEPHX2NFKB1
SCHEMBL13192023 0.75 ALDH1A1 (0.35) TSHRALDH1A1
SCHEMBL15095411 0.73 ALDH1A1 (0.41) TSHRALDH1A1
SCHEMBL7698101 0.73 ALDH1A1 (0.41) TSHRALDH1A1
SCHEMBL23219624 0.71 POLB (0.38) TSHRALDH1A1POLBGAAEPHX2
SCHEMBL14883007 0.70 ALDH1A1 (0.39) TSHRALDH1A1
SCHEMBL15982236 0.70 ALDH1A1 (0.42) TSHRALDH1A1
SCHEMBL4168233 0.70 TSHR (0.44) TSHRALDH1A1
SCHEMBL16944211 0.70 MAPT (0.40) TSHRALDH1A1POLBGAAEPHX2

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-10975042-B2 Method for purifying an amino acid-n-carboxy anhydride SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-04-13 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-10975042-B2 Method for purifying an amino acid-n-carboxy anhydride NAAA, NPPA, NCAPH TSHR 2201/4885ALDH1A1 1912/4885POLB 2704/4885

“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.