SCHEMBL13623458

SCHEMBL13623458

O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC(CCO)CC1

nearest known ligand 0.84

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 15/20 0.84
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
POLB P06746 2/20 0.65
EPHX1 P07099 2/20 0.55
LIPE Q05469 1/20 0.53
ACHE P22303 1/20 0.53
ALOX5 P09917 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52

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 0.91 EPHX2 (1.00) EPHX2CYP2C9CYP2C19POLBEPHX1
SCHEMBL14413584 0.88 EPHX2 (0.65) EPHX2CYP2C9CYP2C19POLBALOX5
SCHEMBL13623462 0.86 EPHX2 (0.77) EPHX2CYP2C9CYP2C19POLBEPHX1
SCHEMBL13873284 0.84 SMN1; SMN2 (0.74) EPHX2CYP2C9CYP2C19POLBACHE
SCHEMBL13873290 0.84 EPHX2 (1.00) EPHX2CYP2C9CYP2C19POLBEPHX1
SCHEMBL13873289 0.82 EPHX2 (0.75) EPHX2CYP2C9CYP2C19POLBEPHX1
Hydrochloric Acid SCHEMBL31041048 0.82 EPHX2 (0.71) EPHX2CYP2C9CYP2C19POLBEPHX1
SCHEMBL4558228 0.82 EPHX2 (0.91) EPHX2CYP2C9CYP2C19POLBACHE
SCHEMBL13873292 0.81 EPHX2 (0.69) EPHX2CYP2C9CYP2C19POLBACHE
SCHEMBL23573338 0.81 EPHX2 (0.72) EPHX2CYP2C9CYP2C19POLBEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933012-B2 Glycopeptide antibiotic derivative SHIONOGI & CO., LTD. (JP) 2015-01-13 US disclosed
US-8933012-B2 Glycopeptide antibiotic derivative SHIONOGI & CO., LTD. (JP) 2015-01-13 US disclosed
US-20090286717-A1 Glycopeptide Antibiotic Derivative SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286717-A1 Glycopeptide Antibiotic Derivative SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
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
EP-2030982-A1 GLYCOPEPTIDE ANTIBIOTIC DERIVATIVE SHIONOGI & CO., LTD. (JP) 2009-03-04 EP 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 (2 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
US-20090286717-A1 Glycopeptide Antibiotic Derivative NR2C2, NR0B2, NR3C2 EPHX2 2410/4885CYP2C9 1381/4885CYP2C19 1981/4885

“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.