SCHEMBL4638764

SCHEMBL4638764

O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.87

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.87
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
TPSAB1 Q15661 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
CNR1 P21554 2/20 0.57
CNR2 P34972 1/20 0.57
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
LMNA P02545 2/20 0.54
POLB P06746 1/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
MAPT P10636 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 0.93 EPHX2 (1.00) EPHX2CYP2C9CYP2C19TPSAB1MEN1
SCHEMBL5947652 0.87 EPHX2 (0.81) EPHX2CYP2C9CYP2C19TPSAB1MEN1
SCHEMBL5947874 0.86 EPHX2 (0.79) EPHX2CYP2C9CYP2C19TPSAB1MEN1
SCHEMBL4618812 0.86 EPHX2 (0.79) EPHX2CYP2C9CYP2C19TPSAB1MEN1
SCHEMBL17225741 0.84 SMN1; SMN2 (0.77) EPHX2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5948073 0.83 EPHX2 (0.74) EPHX2CYP2C9CYP2C19TPSAB1MEN1
SCHEMBL5948063 0.83 EPHX2 (0.79) EPHX2CYP2C9CYP2C19TPSAB1MEN1
SCHEMBL5948064 0.83 EPHX2 (1.00) EPHX2CYP2C9CYP2C19TPSAB1MEN1
SCHEMBL5948021 0.83 EPHX2 (0.79) EPHX2CYP2C9CYP2C19NPC1RAB9A
SCHEMBL4618945 0.82 EPHX2 (0.78) EPHX2CYP2C9CYP2C19TPSAB1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885697-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-13 EP disclosed
US-20060276515-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-07 US disclosed
WO-2006121719-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME BOEHRINGER INGELHEIM INTERNATIONAL, GMBH (DE) 2006-11-16 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-20060276515-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 EPHX2 2/4885CYP2C9 477/4885CYP2C19 1179/4885

“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.