SCHEMBL19500375

SCHEMBL19500375

CC(C)(C)C(=O)COCCOCCOCCNC(=O)CC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.58
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
PTP4A3 O75365 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE6D O43924 1/20 0.40

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
SCHEMBL19509240 0.86 EPHX2 (0.62) EPHX2ALDH1A1SMN1; SMN2PTP4A3CYP3A4
SCHEMBL19500378 0.85 EPHX2 (0.60) EPHX2ALDH1A1SMN1; SMN2PTP4A3CYP3A4
SCHEMBL24201255 0.84 EPHX2 (0.60) EPHX2ALDH1A1SMN1; SMN2PTP4A3CYP3A4
SCHEMBL19509238 0.83 EPHX2 (0.81) EPHX2ALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL24201340 0.81 EPHX2 (0.62) EPHX2ALDH1A1SMN1; SMN2PTP4A3CYP3A4
SCHEMBL24201247 0.81 EPHX2 (0.62) EPHX2ALDH1A1SMN1; SMN2PTP4A3CYP3A4
SCHEMBL17457697 0.81 ALDH1A1 (0.60) EPHX2ALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL17471623 0.80 EPHX2 (0.61) EPHX2ALDH1A1SMN1; SMN2PTP4A3CYP3A4
SCHEMBL22225447 0.80 EPHX2 (0.61) EPHX2ALDH1A1SMN1; SMN2PTP4A3CYP3A4
SCHEMBL15597241 0.80 EPHX2 (0.61) EPHX2ALDH1A1SMN1; SMN2PTP4A3CYP3A4

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-20170307614-A1 Small-Molecule Hydrophobic Tagging of Fusion Proteins and Induced Degradation of Same UNIV YALE (US) 2017-10-26 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-20170307614-A1 Small-Molecule Hydrophobic Tagging of Fusion Proteins and Induced Degradation of Same HSP90B1, LAMP2, PSMG3 EPHX2 2806/4885ALDH1A1 4257/4885SMN1; SMN2 3540/4885

“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.