SCHEMBL3480480

SCHEMBL3480480

C=CCOC(=O)C(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
KDM4E B2RXH2 1/20 0.56
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
POLB P06746 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 2/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 3/20 0.47
MAPT P10636 2/20 0.47
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL6795329 0.84 ALDH1A1 (0.62) ALDH1A1KDM4ECYP1A2CYP2C9POLB
SCHEMBL10468140 0.81 ALDH1A1 (0.64) ALDH1A1KDM4ECYP1A2CYP2C9POLB
SCHEMBL10470167 0.81 ALDH1A1 (0.67) ALDH1A1KDM4ECYP1A2CYP2C9POLB
SCHEMBL6793786 0.81 CYP1A2 (0.70) ALDH1A1KDM4ECYP1A2CYP2C9POLB
SCHEMBL7697964 0.79 KDM4E (0.68) ALDH1A1KDM4ECYP1A2CYP2C9POLB
SCHEMBL10469448 0.79 ALDH1A1 (0.60) ALDH1A1KDM4ECYP1A2CYP2C9POLB
SCHEMBL1432938 0.77 ALDH1A1 (0.72) ALDH1A1KDM4ECYP1A2CYP2C9POLB
SCHEMBL7694742 0.77 KDM4E (0.73) ALDH1A1KDM4ECYP1A2CYP2C9POLB
SCHEMBL6794207 0.76 KDM4E (0.68) ALDH1A1KDM4ECYP1A2CYP2C9POLB
SCHEMBL978291 0.76 KDM4E (0.71) ALDH1A1KDM4ECYP1A2CYP2C9POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002066413-A1 FLECAINIDE SYNTHESIS NARCHEM CORPORATION (US) 2002-08-29 WO claimed
US-20100056794-A1 PROCESS FOR THE PREPARATION OF 2,5-BIS-(2,2,2-TRIFLUOROETHOXY)-N-(2-PIPERIDYL-METHYL)-BENZAMIDE AND SALTS THEREOF GRINDEKS A JOINT STOCK COMPANY (LV) 2010-03-04 US disclosed
EP-1918280-A1 Process for the preparation of 2,5-bis-(2,2,2-trifluoroethoxy)-N-(2-piperidylmethyl)-benzamide and salts thereof "Joint Stock Company Grindeks" (LV) 2008-05-07 EP disclosed
WO-2002066413-A1 FLECAINIDE SYNTHESIS NARCHEM CORPORATION (US) 2002-08-29 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-20100056794-A1 PROCESS FOR THE PREPARATION OF 2,5-BIS-(2,2,2-TRIFLUOROETHOXY)-N-(2-PIPERIDYL-METHYL)-BENZAMIDE AND SALTS THEREOF BOLA2; BOLA2B, TET2, CYP1A2 ALDH1A1 430/4885KDM4E 429/4885CYP1A2 3/4885

“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.