SCHEMBL5947652

SCHEMBL5947652

O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(O)cc1

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.81
CNR1 P21554 3/20 0.66
CNR2 P34972 2/20 0.66
TPSAB1 Q15661 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
MTNR1A P48039 1/20 0.58
MTNR1B P49286 1/20 0.58
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL5948102 0.90 EPHX2 (1.00) EPHX2CNR1CNR2TPSAB1CYP2C9
SCHEMBL4638764 0.87 EPHX2 (0.87) EPHX2CNR1CNR2TPSAB1CYP2C9
SCHEMBL5947874 0.86 EPHX2 (0.79) EPHX2CNR1CNR2TPSAB1CYP2C9
SCHEMBL4618812 0.86 EPHX2 (0.79) EPHX2CNR1CNR2TPSAB1CYP2C9
SCHEMBL5948073 0.83 EPHX2 (0.74) EPHX2CNR1CNR2TPSAB1CYP2C9
SCHEMBL5948064 0.83 EPHX2 (1.00) EPHX2CNR1CNR2TPSAB1CYP2C9
SCHEMBL5947688 0.82 EPHX2 (0.72) EPHX2TPSAB1CYP2C9CYP2C19MEN1
SCHEMBL3456855 0.82 MEN1 (0.78) EPHX2CNR1CNR2TPSAB1CYP2C9
SCHEMBL4618945 0.82 EPHX2 (0.78) EPHX2CNR1CNR2TPSAB1CYP2C9
SCHEMBL4918238 0.81 EPHX2 (0.74) EPHX2CNR1CNR2TPSAB1CYP2C9

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-20060276515-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-07 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-20060276515-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 EPHX2 2/4885CNR1 2847/4885CNR2 2438/4885

“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.