SCHEMBL13873288

SCHEMBL13873288

O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCCC(CO)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 1.00
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
POLB P06746 3/20 0.56
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HTT P42858 2/20 0.54
LIPE Q05469 2/20 0.53
ACHE P22303 1/20 0.53
SCN9A Q15858 1/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL13873298 0.86 EPHX2 (1.00) EPHX2CYP2C9CYP2C19POLBKDM4E
SCHEMBL13873419 0.84 EPHX2 (1.00) EPHX2CYP2C9CYP2C19POLBLIPE
SCHEMBL23389101 0.84 EPHX2 (0.75) EPHX2CYP2C9CYP2C19POLBLIPE
SCHEMBL23389103 0.84 EPHX2 (0.75) EPHX2CYP2C9CYP2C19POLBLIPE
Hydrochloric Acid SCHEMBL31041048 0.82 EPHX2 (0.71) EPHX2CYP2C9CYP2C19POLBKDM4E
SCHEMBL4558228 0.81 EPHX2 (0.91) EPHX2CYP2C9CYP2C19POLBACHE
SCHEMBL13873283 0.80 EPHX2 (1.00) EPHX2CYP2C9CYP2C19POLBALDH1A1
SCHEMBL13623458 0.80 EPHX2 (0.84) EPHX2CYP2C9CYP2C19POLBKDM4E
SCHEMBL10253742 0.80 EPHX2 (0.70) EPHX2CYP2C9CYP2C19POLBKDM4E
SCHEMBL1941707 0.79 EPHX2 (0.65) EPHX2CYP2C9CYP2C19POLBACHE

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
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 US disclosed
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 US disclosed
WO-2007106705-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 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-20090111791-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.