SCHEMBL6701426

SCHEMBL6701426

COC(=O)c1ccc(OC)cc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
CFTR P13569 1/20 0.54
MAOB P27338 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.49
PTPN1 P18031 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AKR1C3 P42330 2/20 0.45
AKR1C2 P52895 2/20 0.45
P2RX1 P51575 1/20 0.45
TMPRSS4 Q9NRS4 1/20 0.45
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
OPRD1 P41143 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 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
SCHEMBL23354056 0.90 CFTR (0.52) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL23354519 0.88 CFTR (0.63) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL23354274 0.88 MAOB (0.47) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6550819 0.87 SMN1; SMN2 (0.57) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29979130 0.87 SMN1; SMN2 (0.57) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL23354287 0.84 SLC6A3 (0.56) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6698582 0.84 CFTR (0.55) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2138612 0.84 CFTR (0.55) KDM4ECFTRPTPN1SMN1; SMN2SLC6A4
SCHEMBL6783755 0.84 KDM4E (0.63) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6803026 0.81 CFTR (0.51) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040044008-A1 Use of therapeutic benzamide derivatives DAUGAN ALAIN CLAUDE-MARIE (FR) 2004-03-04 US disclosed
US-6552022-B1 Atherosclerosis in a mammal, pancreatitis, non-insulin dependent diabetes mellitus, coronary heart disease in a lowering serum lipid levels SMITHKLINE BEECHAM CORPORATION 2003-04-22 US disclosed
EP-1286670-A2 USE OF THERAPEUTIC BENZAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-03-05 EP disclosed
WO-2001097810-A2 USE OF THERAPEUTIC BENZAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-12-27 WO disclosed
EP-1135378-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2001-09-26 EP disclosed
WO-2000032582-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2000-06-08 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-20040044008-A1 Use of therapeutic benzamide derivatives MTTP, LIPC, CETP KDM4E 2556/4885CYP1A2 249/4885CYP2D6 404/4885

“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.