SCHEMBL6793786

SCHEMBL6793786

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

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.70
CYP2C9 P11712 1/20 0.70
ALDH1A1 P00352 6/20 0.69
KDM4E B2RXH2 1/20 0.67
POLB P06746 2/20 0.60
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
MAPK1 P28482 1/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
NPSR1 Q6W5P4 2/20 0.55
HTT P42858 3/20 0.55
MAPT P10636 2/20 0.54
HPGD P15428 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
ATM Q13315 1/20 0.53

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 0.86 ALDH1A1 (0.62) CYP1A2CYP2C9ALDH1A1KDM4EPOLB
SCHEMBL1098123 0.86 CYP2C9 (0.73) CYP1A2CYP2C9ALDH1A1KDM4EPOLB
SCHEMBL7697964 0.84 KDM4E (0.68) CYP1A2CYP2C9ALDH1A1KDM4EPOLB
SCHEMBL1432938 0.82 ALDH1A1 (0.72) CYP1A2CYP2C9ALDH1A1KDM4EPOLB
SCHEMBL7694742 0.82 KDM4E (0.73) CYP1A2CYP2C9ALDH1A1KDM4EPOLB
SCHEMBL978291 0.81 KDM4E (0.71) CYP1A2CYP2C9ALDH1A1KDM4EPOLB
SCHEMBL3480480 0.81 ALDH1A1 (0.66) CYP1A2CYP2C9ALDH1A1KDM4EPOLB
SCHEMBL5485870 0.80 KDM4E (1.00) CYP1A2CYP2C9ALDH1A1KDM4EPOLB
SCHEMBL14622160 0.80 ALDH1A1 (0.68) CYP1A2CYP2C9ALDH1A1KDM4EPOLB
SCHEMBL11784892 0.80 KDM4E (0.79) CYP1A2CYP2C9ALDH1A1KDM4EPOLB

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
US-20040220409-A1 Flecainide synthesis MCDANIEL WILLIAM C 2004-11-04 US claimed
WO-2002066413-A1 FLECAINIDE SYNTHESIS NARCHEM CORPORATION (US) 2002-08-29 WO claimed
US-20040220409-A1 Flecainide synthesis MCDANIEL WILLIAM C 2004-11-04 US 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-20040220409-A1 Flecainide synthesis KCNH1, CYP3A43, CYP2F1 CYP1A2 49/4885CYP2C9 27/4885ALDH1A1 450/4885

“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.