SCHEMBL6698505

SCHEMBL6698505

O=C(c1c(F)cccc1F)C1CC1c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 1/20 0.45
KDM1A O60341 2/20 0.43
MAOB P27338 1/20 0.43
PPIB P23284 1/20 0.41
PPIA P62937 1/20 0.41
FFAR4 Q5NUL3 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
EPHX2 P34913 3/20 0.39
AURKA O14965 1/20 0.38
TPX2 Q9ULW0 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
DGAT1 O75907 1/20 0.38
DHODH Q02127 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
DGAT2 Q96PD7 2/20 0.36
MMP12 P39900 1/20 0.36

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
SCHEMBL5234961 0.87 KDM1A (0.41) GPR88KDM1AMAOBFFAR4NPC1
SCHEMBL22721277 0.80 GPR88 (0.48) GPR88KDM1AMAOBFFAR4MAPT
SCHEMBL6698943 0.77 HRH3 (0.42) KDM1AMAOBNPC1MAPTRAB9A
SCHEMBL18984237 0.77 FFAR1 (0.50) GPR88KDM1AMAOBFFAR4EPHX2
SCHEMBL21501071 0.77 FFAR1 (0.50) GPR88KDM1AMAOBFFAR4EPHX2
SCHEMBL23425328 0.77 FFAR1 (0.50) GPR88KDM1AMAOBFFAR4EPHX2
SCHEMBL6997931 0.77 FFAR1 (0.50) GPR88KDM1AMAOBFFAR4EPHX2
SCHEMBL7659702 0.77 FFAR1 (0.50) GPR88KDM1AMAOBFFAR4EPHX2
SCHEMBL27699503 0.76 GPR88 (0.43) GPR88KDM1AMAOBNPC1MAPT
SCHEMBL8084094 0.72 GAA (0.51) MAPTEPHX2AURKATPX2TRPV1

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-20040077881-A1 $G(d)1-pyrrolines used in pest control PLANT ANDREW (GB) 2004-04-22 US disclosed
EP-1368311-A1 DELTA1 -PYRROLINES USED IN PEST CONTROL Bayer CropScience AG (DE) 2003-12-10 EP disclosed
WO-2002064561-A1 $G(D)1-PYRROLINES USED IN PEST CONTROL BAYER CROPSCIENCE AG (DE) 2002-08-22 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 (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-20040077881-A1 $G(d)1-pyrrolines used in pest control GRM1, DDT, GRIA1 GPR88 3233/4885KDM1A 1423/4885MAOB 2311/4885

“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.