SCHEMBL23219621

SCHEMBL23219621

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
MLYCD O95822 1/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
EPHX2 P34913 1/20 0.32
PLA2G10 O15496 1/20 0.31
PLA2G5 P39877 1/20 0.31
GAA P10253 1/20 0.31
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30
ATM Q13315 3/20 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 0.81 ALDH1A1 (0.35) ALDH1A1TSHRATM
SCHEMBL13192023 0.78 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL23219622 0.78 TSHR (0.36) ALDH1A1TSHRNFKB1EPHX2GAA
SCHEMBL2477172 0.76 FOLH1 (0.42) ALDH1A1TSHR
SCHEMBL14883007 0.73 ALDH1A1 (0.39) ALDH1A1TSHRATM
SCHEMBL4168233 0.73 TSHR (0.44) ALDH1A1TSHR
SCHEMBL16203275 0.73 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL13644386 0.73 TDP1 (0.41) ALDH1A1TSHREPHX2GAA
SCHEMBL31634583 0.72 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL11957433 0.71 ABCG2 (0.34) MLYCDEPHX2PLA2G10PLA2G5GAA

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 ALDH1A1 1912/4885TSHR 2201/4885MLYCD 3508/4885

“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.