SCHEMBL4128501

SCHEMBL4128501

O=C(NCCCCCC=C(F)CO)NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 19/20 0.68
EPHX1 P07099 2/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 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
SCHEMBL4128506 0.78 EPHX2 (0.68) EPHX2
SCHEMBL4016032 0.78 EPHX2 (0.68) EPHX2
SCHEMBL4016037 0.78 EPHX2 (0.68) EPHX2
SCHEMBL4012598 0.77 EPHX2 (0.37) EPHX2
SCHEMBL4016015 0.77 EPHX2 (0.71) EPHX2EPHX1NPC1KMT2A
SCHEMBL4014035 0.74 EPHX2 (0.71) EPHX2EPHX1NPC1KMT2A
SCHEMBL917972 0.72 EPHX2 (0.79) EPHX2EPHX1NPC1KMT2A
SCHEMBL12932149 0.68 EPHX2 (0.69) EPHX2
SCHEMBL4012097 0.66 KMT2A (0.54) EPHX1KMT2A
SCHEMBL4114104 0.66 KMT2A (0.54) EPHX1KMT2A

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-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. 2009-10-01 US claimed
US-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. 2009-10-01 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 (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-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION EPHX1, ECE1, LIPG EPHX2 5/4885EPHX1 1/4885NPC1 1529/4885

“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.