SCHEMBL13873299

SCHEMBL13873299

O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCCCC1CCO

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 11/20 0.83
▸ ALDH1A1 P00352 2/20 0.54
▸ HRH3 Q9Y5N1 1/20 0.53
▸ NAMPT P43490 1/20 0.53
▸ POLB P06746 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ EPHX1 P07099 1/20 0.50
▸ KMT2A Q03164 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL13873300 0.91 EPHX2 (1.00) EPHX2ALDH1A1HRH3POLBKDM4E
SCHEMBL13873295 0.88 EPHX2 (0.81) EPHX2ALDH1A1HRH3POLBKDM4E
SCHEMBL14413648 0.87 EPHX2 (0.64) EPHX2ALDH1A1NAMPTCYP2C9CYP2C19
SCHEMBL13873418 0.81 EPHX2 (1.00) EPHX2ALDH1A1HRH3POLBKDM4E
SCHEMBL13623458 0.79 EPHX2 (0.84) EPHX2ALDH1A1POLBKDM4ECYP2C9
SCHEMBL14413643 0.78 EPHX2 (0.77) EPHX2ALDH1A1NAMPTCYP2C9CYP2C19
SCHEMBL30441052 0.77 EPHX2 (0.67) EPHX2ALDH1A1NAMPTPOLBKDM4E
SCHEMBL31710264 0.77 KMT2A (0.69) EPHX2POLBCYP2C9CYP2C19EPHX1
SCHEMBL31717905 0.76 EPHX2 (0.66) EPHX2POLBCYP2C9CYP2C19EPHX1
SCHEMBL13739448 0.75 EPHX2 (0.68) EPHX2POLBCYP2C9CYP2C19KMT2A

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 2 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

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 2/4885ALDH1A1 385/4885HRH3 291/4885

“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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