SCHEMBL21764583

SCHEMBL21764583

CCCOP(N)(=O)OC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LPAR3 Q9UBY5 3/20 0.32
LPAR1 Q92633 2/20 0.32
LPAR2 Q9HBW0 2/20 0.32
CYP3A4 P08684 1/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 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
SCHEMBL21764713 0.88 CYP3A4 (0.48) ALDH1A1LPAR3LPAR1LPAR2CYP3A4
SCHEMBL21764589 0.86 LPAR3 (0.50) ALDH1A1LPAR3LPAR1LPAR2CYP3A4
SCHEMBL21764796 0.85 LPAR3 (0.53) ALDH1A1LPAR3LPAR1LPAR2CYP3A4
SCHEMBL6671116 0.79 CYP3A4 (0.42) MEN1KMT2ALPAR3LPAR1LPAR2
SCHEMBL21764738 0.79 MEN1 (0.33) ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL28478944 0.77 CYP3A4 (0.40) MEN1KMT2ALPAR3LPAR1LPAR2
SCHEMBL21764565 0.77 LPAR3 (0.38) ALDH1A1MEN1KMT2ALPAR3LPAR1
SCHEMBL21764722 0.73 TSHR (0.35) ALDH1A1MEN1KMT2ACYP3A4TSHR
SCHEMBL28743332 0.73 TSHR (0.46) ALDH1A1MEN1KMT2ACYP3A4LMNA
SCHEMBL27274519 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3474860-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE AEQUOR INC (US) 2021-12-15 EP disclosed
US-20200060280-A1 Antimicrobial Compounds and Methods of Use AEQUOR, INC. 2020-02-27 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-20200060280-A1 Antimicrobial Compounds and Methods of Use DDT, PFAS, DSTN ALDH1A1 3876/4885MEN1 794/4885KMT2A 3398/4885

“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.