SCHEMBL6099753

SCHEMBL6099753

COc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2cc(Cl)ccc2OC(=O)N2CCOCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
KDM4E B2RXH2 2/20 0.56
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 1/20 0.46
CYP2D6 P10635 1/20 0.46
HPGD P15428 2/20 0.46
RAF1 P04049 1/20 0.45
POLB P06746 1/20 0.45
SCN8A Q9UQD0 1/20 0.45
SCN10A Q9Y5Y9 1/20 0.45
LMNA P02545 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL4498909 0.86 POLB (0.53) MAPTKDM4EALDH1A1KMT2ACYP1A2
SCHEMBL3496921 0.85 TMPRSS4 (0.58) KDM4EALDH1A1KMT2AHPGDPOLB
SCHEMBL19612142 0.84 TP53 (0.48) MAPTKDM4EALDH1A1KMT2AHPGD
SCHEMBL6100739 0.82 KMT2A (0.52) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL3495516 0.81 MAPT (0.69) MAPTKDM4EMAPK1ALDH1A1KMT2A
SCHEMBL13698751 0.80 TMPRSS4 (0.55) KDM4EALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL6099768 0.79 MAPT (0.52) MAPTKDM4EMAPK1ALDH1A1KMT2A
SCHEMBL6103190 0.78 POLB (0.52) MAPTKDM4EALDH1A1KMT2ACYP1A2
SCHEMBL10144138 0.77 KDM4E (0.65) KDM4EMAPK1ALDH1A1KMT2AMEN1
SCHEMBL6101632 0.77 MAPT (0.53) MAPTKDM4EALDH1A1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060094718-A1 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-04 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-20060094718-A1 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction IL1A, TNF, NFKBIA MAPT 3363/4885KDM4E 1885/4885MAPK1 126/4885

“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.