SCHEMBL11041870

SCHEMBL11041870

c1ccc(C(OC2CCCCC2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
FABP7 O15540 1/20 0.36
FABP5 Q01469 1/20 0.36
CHRM2 P08172 8/20 0.36
CHRM3 P20309 7/20 0.36
CYP2D6 P10635 4/20 0.36
KCNH2 Q12809 3/20 0.36
LMNA P02545 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC6A4 P31645 1/20 0.36
KIF11 P52732 1/20 0.35
IDO1 P14902 1/20 0.35
CHRM1 P11229 2/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
HRH1 P35367 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35

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
SCHEMBL27480438 0.89 KIF11 (0.39) KEAP1NFE2L2CHRM2CHRM3CYP2D6
SCHEMBL18324166 0.87 SLC6A11 (0.43) KCNH2KIF11CYP3A4SIGMAR1
SCHEMBL5883606 0.80 KCNA3 (0.36) KEAP1NFE2L2CHRM2CHRM3CYP2D6
SCHEMBL5883610 0.80 KCNA3 (0.36) KEAP1NFE2L2CHRM2CHRM3CYP2D6
SCHEMBL11006937 0.78 SLC18A3 (0.47) CYP2D6LMNAKIF11HRH1SIGMAR1
SCHEMBL18297952 0.77 KEAP1 (0.35) KEAP1NFE2L2FABP7FABP5CHRM2
SCHEMBL1355285 0.77 CHRM3 (0.40) KEAP1NFE2L2CHRM2CHRM3CYP2D6
SCHEMBL1355287 0.77 KEAP1 (0.42) KEAP1NFE2L2CHRM2CHRM3CYP2D6
SCHEMBL13280375 0.76 SLC6A1 (0.44) KEAP1NFE2L2CHRM3
SCHEMBL5091003 0.73 TRPA1 (0.51) CHRM2CHRM3CYP2D6KCNH2LMNA

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
JP-59230791-A None JP disclosed
US-20150011749-A1 USE OF CERTAIN METAL-ACCUMULATING PLANTS FOR THE PERFORMANCE OF ORGANIC CHEMISTRY REACTIONS UNIVERSITE MONTPELLIER 2 SCIENCES ET TECHNIQUES (FR) 2015-01-08 US disclosed
JP-S59230791-A FIXED-TYPE THERMAL RECORDING MATERIAL MITSUBISHI PAPER MILLS LTD 1984-12-25 JP 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-20150011749-A1 USE OF CERTAIN METAL-ACCUMULATING PLANTS FOR THE PERFORMANCE OF ORGANIC CHEMISTRY REACTIONS ME1, OSGEP, AGL KEAP1 374/4885NFE2L2 858/4885FABP7 2285/4885

“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.