SCHEMBL13873444

SCHEMBL13873444

O=C(NCc1ccccc1OC(F)(F)F)N1CCC(Oc2ccc(F)cc2)CC1

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 18/20 0.82
▸ CYP2C9 P11712 6/20 0.82
▸ CYP2J2 P51589 6/20 0.82
▸ ALDH1A1 P00352 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ LIPE Q05469 1/20 0.46

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
SCHEMBL4108219 0.92 EPHX2 (0.79) EPHX2CYP2C9CYP2J2
SCHEMBL13873613 0.90 EPHX2 (1.00) EPHX2CYP2C9CYP2J2LIPE
SCHEMBL4097087 0.88 EPHX2 (0.64) EPHX2CYP2C9CYP2J2
SCHEMBL4107231 0.88 EPHX2 (0.72) EPHX2CYP2C9CYP2J2
SCHEMBL4103790 0.86 EPHX2 (0.84) EPHX2CYP2C9CYP2J2
SCHEMBL4114888 0.86 EPHX2 (0.62) EPHX2CYP2C9CYP2J2ALDH1A1
SCHEMBL4111780 0.85 EPHX2 (1.00) EPHX2CYP2C9CYP2J2
SCHEMBL4100317 0.84 EPHX2 (0.65) EPHX2CYP2C9CYP2J2ALDH1A1TSHR
SCHEMBL13874793 0.84 EPHX2 (0.62) EPHX2CYP2C9CYP2J2ALDH1A1TSHR
SCHEMBL13873467 0.83 EPHX2 (0.64) EPHX2CYP2C9CYP2J2ALDH1A1TSHR

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 477/4885CYP2J2 405/4885

“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.

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