SCHEMBL25575666

SCHEMBL25575666

CC(C)(C)OC(=O)CN1CCN(CC(=O)NCCCCCCCCCCCC(=O)O)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.42
EPHX2 P34913 4/20 0.42
SIGMAR1 Q99720 3/20 0.41
CACNA1H O95180 1/20 0.41
PRMT1 Q99873 1/20 0.41
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
FOLH1 Q04609 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PLA2G2A P14555 1/20 0.37

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
SCHEMBL6014048 1.00 ADRA1A (0.42) ADRA1AEPHX2SIGMAR1CACNA1HPRMT1
SCHEMBL31399675 0.89 SIGMAR1 (0.44) SIGMAR1CACNA1HALDH1A1TDP1LMNA
SCHEMBL15047573 0.88 ALDH1A1 (0.45) SIGMAR1CACNA1HALDH1A1TDP1LMNA
SCHEMBL28779145 0.88 CHRM2 (0.42) ADRA1AEPHX2SIGMAR1CACNA1HPRMT1
SCHEMBL13131284 0.86 FOLH1 (0.37) EPHX2SIGMAR1CACNA1HCHRM2CHRM4
SCHEMBL25729888 0.85 TDP1 (0.51) EPHX2SIGMAR1CACNA1HALDH1A1TDP1
SCHEMBL7130844 0.85 ALDH1A1 (0.53) SIGMAR1CACNA1HALDH1A1TDP1LMNA
SCHEMBL13131283 0.85 EPHX2 (0.47) EPHX2FOLH1
SCHEMBL14678916 0.85 SIGMAR1 (0.41) EPHX2SIGMAR1CACNA1HALDH1A1TDP1
SCHEMBL15775091 0.84 ALDH1A1 (0.42) SIGMAR1CACNA1HALDH1A1TDP1LMNA

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
US-20230302164-A1 PSMA-Targeting Ligands With Optimal Properties for Imaging and Therapy WISCONSIN ALUMNI RESEARCH FOUNDATION 2023-09-28 US disclosed
US-20230173112-A1 PSMA-Targeting Ligands With Optimal Properties for Imaging and Therapy WISCONSIN ALUMNI RESEARCH FOUNDATION 2023-06-08 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 (2 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-20230173112-A1 PSMA-Targeting Ligands With Optimal Properties for Imaging and Therapy PSMA1, PSMA2, FOLH1 ADRA1A 1062/4885EPHX2 4594/4885SIGMAR1 1557/4885
US-20230302164-A1 PSMA-Targeting Ligands With Optimal Properties for Imaging and Therapy PSMA1, PSMA2, FOLH1 ADRA1A 887/4885EPHX2 4667/4885SIGMAR1 1442/4885

“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.