SCHEMBL29773453

SCHEMBL29773453

CC(C)COC(=O)NCCCCCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.56
ADRA1A P35348 1/20 0.53
PRMT1 Q99873 1/20 0.52
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 1/20 0.47
HTT P42858 1/20 0.45
PLA2G2A P14555 1/20 0.45
MAPK1 P28482 1/20 0.44

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
SCHEMBL20471917 0.88 EPHX2 (0.48) EPHX2ADRA1APRMT1ALDH1A1LMNA
SCHEMBL27134718 0.86 LMNA (0.49) EPHX2ALDH1A1LMNAHTTMAPK1
SCHEMBL27860861 0.84 HDAC3 (0.47) EPHX2ALDH1A1LMNA
SCHEMBL8186241 0.83 ACHE (0.56) ALDH1A1LMNA
SCHEMBL27357581 0.83 EPHX1 (0.61)
SCHEMBL31580499 0.81 LMNA (0.47) EPHX2ALDH1A1LMNAKMT2AHTT
SCHEMBL9830057 0.81 EPHX2 (0.60) EPHX2ADRA1APRMT1KMT2AHTT
SCHEMBL10141268 0.81 ACHE (0.58) EPHX2ALDH1A1LMNA
SCHEMBL8193146 0.81 ACHE (0.53) ALDH1A1LMNAHTTMAPK1
SCHEMBL10119353 0.81 LMNA (0.51) ALDH1A1LMNAHTTMAPK1

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-12187755-B2 Minimal saponin analogues, synthesis and use thereof MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2025-01-07 US disclosed
US-20220275017-A1 MINIMAL SAPONIN ANALOGUES, SYNTHESIS AND USE THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER 2022-09-01 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-20220275017-A1 MINIMAL SAPONIN ANALOGUES, SYNTHESIS AND USE THEREOF DDOST, SI, STT3A EPHX2 1541/4885ADRA1A 4429/4885PRMT1 3470/4885
US-12187755-B2 Minimal saponin analogues, synthesis and use thereof DDOST, SI, STT3A EPHX2 1541/4885ADRA1A 4429/4885PRMT1 3470/4885

“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.