SCHEMBL5366249

SCHEMBL5366249

CCN1CCN(c2ccc(CO)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.62
RAD52 P43351 3/20 0.62
MAPT P10636 3/20 0.62
KDM4E B2RXH2 2/20 0.62
GFER P55789 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
CHRNA7 P36544 1/20 0.61
CHKA P35790 1/20 0.60
KMT2A Q03164 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 2/20 0.50
LMNA P02545 1/20 0.47
ESRRG P62508 4/20 0.46
ESR1 P03372 3/20 0.46
ESRRB O95718 3/20 0.46
ALDH1A1 P00352 1/20 0.46
S1PR1 P21453 1/20 0.46
KCNH2 Q12809 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL13179262 0.85 GAA (0.67) GAARAD52MAPTKDM4EGFER
SCHEMBL2377738 0.81 GAA (0.68) GAARAD52MAPTKDM4EGFER
SCHEMBL15800192 0.81 GAA (0.62) GAARAD52MAPTKDM4EGFER
SCHEMBL24452939 0.81 MAPT (0.67) GAARAD52MAPTKDM4EGFER
SCHEMBL347427 0.81 CHKA (0.86) GAAMAPTKDM4EGFERSMN1; SMN2
SCHEMBL349502 0.81 ALDH1A1 (0.69) GAAMAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL10902035 0.80 KDM4E (0.68) GAAKDM4ECHKALMNAS1PR1
SCHEMBL81930 0.79 GAA (0.69) GAARAD52MAPTKDM4EGFER
SCHEMBL12152647 0.78 CHKA (0.70) GAAMAPTKDM4ESMN1; SMN2CHKA
SCHEMBL4576100 0.77 GAA (0.57) GAARAD52MAPTKDM4EGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018202681-A1 USE OF DISUBSTITUTED BENZENES TO CONTROL INSECTICIDE-RESISTANT PESTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-11-08 WO disclosed
US-7247756-B2 1,4-disubstituted benzenes as insecticides BAYER CROPSCIENCE AG (DE) 2007-07-24 US disclosed
US-6753429-B2 FOR USE AS INSECTICIDES AGAINST A VARIETY OF INSECTS, INCLUDING LARVAE, SUCH AS TOBACCO BUDWORM FMC CORPORATION 2004-06-22 US disclosed
US-20030207894-A1 1,4-Disubstituted benzenes as insecticides BAYER CROPSCIENCE AG (DE) 2003-11-06 US disclosed
EP-1334083-A2 1,4-DISUBSTITUTED BENZENES AS INSECTICIDES FMC CORPORATION (US) 2003-08-13 EP disclosed
US-20020183342-A1 1,4-Disubstituted benzenes as insecticides BAYER CROPSCIENCE AG (DE) 2002-12-05 US disclosed
WO-2002017712-A2 DISUBSTITUTED BENZENES AS INSECTICIDES FMC CORPORATION (US) 2002-03-07 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 (2 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-20030207894-A1 1,4-Disubstituted benzenes as insecticides DDT, CYP1B1, CYP4B1 GAA 4175/4885RAD52 763/4885MAPT 4686/4885
US-20020183342-A1 1,4-Disubstituted benzenes as insecticides DDT, CYP1B1, CYP4B1 GAA 4175/4885RAD52 763/4885MAPT 4686/4885

“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.