SCHEMBL6806293

SCHEMBL6806293

COc1cc(CCNC(=O)C(=COC(F)F)c2ccc(C(F)(F)F)cc2)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.50
DUSP3 P51452 1/20 0.49
CXCL12 P48061 1/20 0.48
NOX4 Q9NPH5 1/20 0.46
ACHE P22303 2/20 0.46
TYR P14679 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
KCNH2 Q12809 1/20 0.43
ALOX5 P09917 1/20 0.42
OR51E2 Q9H255 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL6806292 1.00 TMEM97 (0.50) TMEM97DUSP3CXCL12NOX4ACHE
SCHEMBL6802548 0.92 GAA (0.51) PPARDPPARAGAA
SCHEMBL6807705 0.89 MAPT (0.48) NOX4ACHETYRHDAC1HDAC6
SCHEMBL6797885 0.89 ALDH1A1 (0.52) NOX4ACHETYRHDAC1HDAC6
SCHEMBL6802209 0.89 NOX4 (0.48) NOX4ACHETYRHDAC1HDAC6
SCHEMBL6797880 0.89 ALDH1A1 (0.52) NOX4ACHETYRHDAC1HDAC6
SCHEMBL6803651 0.89 NOX4 (0.48) DUSP3CXCL12NOX4ACHETYR
SCHEMBL6807707 0.89 MAPT (0.48) NOX4ACHETYRHDAC1HDAC6
SCHEMBL6803649 0.89 NOX4 (0.48) DUSP3CXCL12NOX4ACHETYR
SCHEMBL6802206 0.89 NOX4 (0.48) NOX4ACHETYRHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6762321-B2 SUCH AS N-(2-(3,4-DIMETHOXYPHENYL)ETHYL)-3-DIFLUOROMETHOXY-2-(4 -METHYLPHENYL)ACRYLAMIDE; FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-13 US disclosed
US-20030195354-A1 Amide compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-10-16 US disclosed
EP-1295868-A1 AMIDE COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-26 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 (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-20030195354-A1 Amide compounds and use thereof CBR1, CBR3, NAT1 TMEM97 848/4885DUSP3 4338/4885CXCL12 4499/4885

“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.