SCHEMBL7651798

SCHEMBL7651798

CC=Cc1ccc(F)cc1F

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 6/20 0.61
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44
GRIN3A Q8TCU5 2/20 0.44
HTR2A P28223 3/20 0.44
KCNH2 Q12809 3/20 0.44
HTR2C P28335 2/20 0.44
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
ALDH1A1 P00352 1/20 0.39
F2RL1 P55085 2/20 0.39

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
SCHEMBL257321 1.00 NFE2L2 (0.61) NFE2L2PTGS1PTGS2GRIN2DGRIN3B
SCHEMBL13891146 1.00 NFE2L2 (0.61) NFE2L2PTGS1PTGS2GRIN2DGRIN3B
SCHEMBL16951286 0.82 NFE2L2 (0.61) NFE2L2PTGS1PTGS2F2RL1
SCHEMBL14541331 0.82 NFE2L2 (0.61) NFE2L2PTGS1PTGS2F2RL1
SCHEMBL1384058 0.81 NFE2L2 (0.54) NFE2L2PTGS1PTGS2GRIN2DGRIN3B
SCHEMBL13678718 0.80 PTGS1 (0.43) NFE2L2PTGS1PTGS2HTR2AKCNH2
SCHEMBL18906997 0.80 PTGS1 (0.43) NFE2L2PTGS1PTGS2HTR2AKCNH2
SCHEMBL25686111 0.80 NFE2L2 (0.56) NFE2L2PTGS1PTGS2CYP1A1CYP1B1
SCHEMBL13535962 0.80 NFE2L2 (0.56) NFE2L2PTGS1PTGS2CYP1A1CYP1B1
SCHEMBL2046337 0.78 CA3 (0.46) NFE2L2PTGS1PTGS2HTR2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176856-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-07-09 US disclosed
US-6372911-B1 REACTING COMPOUND CONTAINING AT LEAST ONE CARBON-CARBON DOUBLE BOND WITH CARBAMATE IN AQUEOUS SOLVENT IN PRESENCE OF BASE, OSMIUM CATALYST, CO-OXIDANT, AND OPTIONALLY ASYMMETRIC LIGAND, TO FORM REACTION MIXTURE CONTAINING BETA-HYDROXY CARBAMATE MERCK & CO., INC. 2002-04-16 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-20090176856-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 NFE2L2 4207/4885PTGS1 1556/4885PTGS2 1746/4885

“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.