SCHEMBL3208555

SCHEMBL3208555

Fc1cc(F)c(COc2cc[c]cc2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.36
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP12 P39900 1/20 0.34
APP P05067 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
MAPK14 Q16539 1/20 0.33
GSK3B P49841 1/20 0.33
BACE1 P56817 1/20 0.33
DAO P14920 1/20 0.33

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
SCHEMBL17514625 0.83 MAOB (0.41) MAOBMMP1MMP2MMP9MMP12
SCHEMBL863820 0.79 GSK3B (0.49) MAOBMMP2MMP9APPGSK3B
SCHEMBL3216377 0.79 MAOB (0.57) MAOBMAPK14GSK3BBACE1
SCHEMBL1282619 0.75 CACNA1C (0.49) MAOBGSK3BBACE1
SCHEMBL697362 0.73 MAOB (0.61) MAOBAPPCA12CA1CA2
SCHEMBL3228557 0.73 MAOB (0.56) MAOBAPP
SCHEMBL17514987 0.73 GSK3B (0.40) MAOBAPPGSK3BBACE1
SCHEMBL17514795 0.73 SMN1; SMN2 (0.52)
SCHEMBL863891 0.71 MAOB (0.66) MAOB
SCHEMBL5488336 0.71 MET (0.48) MAPK14

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
WO-2016026830-A1 NOVEL FUNGICIDAL PYRAZOLE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-02-25 WO disclosed
US-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-18 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-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES HDHD5, NAAA, BROX MAOB 3656/4885MMP1 796/4885MMP2 3004/4885

“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.