SCHEMBL4016037

SCHEMBL4016037

O=C(NCCCCC/C=C(/F)CO)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 19/20 0.68
HTT P42858 1/20 0.60
ALOX5 P09917 1/20 0.60
HDAC3 O15379 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57

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 1.00 EPHX2 (0.68) EPHX2HTTALOX5HDAC3HDAC1
SCHEMBL4016032 1.00 EPHX2 (0.68) EPHX2HTTALOX5HDAC3HDAC1
SCHEMBL4007923 0.86 EPHX2 (0.69) EPHX2HTTALOX5HDAC3HDAC1
SCHEMBL13651418 0.86 EPHX2 (0.69) EPHX2HTTALOX5HDAC3HDAC1
SCHEMBL3226271 0.86 EPHX2 (0.69) EPHX2HTTALOX5HDAC3HDAC1
SCHEMBL4012009 0.86 EPHX2 (0.61) EPHX2ALOX5
SCHEMBL4012006 0.86 EPHX2 (0.61) EPHX2ALOX5
SCHEMBL4067670 0.86 EPHX2 (0.61) EPHX2ALOX5
SCHEMBL4011018 0.85 EPHX2 (0.68) EPHX2HTTALOX5HDAC3HDAC1
SCHEMBL13651419 0.85 EPHX2 (0.68) EPHX2HTTALOX5HDAC3HDAC1

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 5 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
WO-2009086429-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2009-07-09 WO claimed
US-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. 2009-10-01 US disclosed
WO-2009086429-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2009-07-09 WO disclosed
WO-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 WO 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 5/4885HTT 4428/4885ALOX5 38/4885

“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.