SCHEMBL403344

SCHEMBL403344

Cc1cc(OCc2ccccc2)cc(C)c1C1C(=O)CCCC1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.53
MAOA P21397 6/20 0.53
BRD4 O60885 1/20 0.48
HPD P32754 2/20 0.47
TDP1 Q9NUW8 3/20 0.45
GRM5 P41594 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
NSD2 O96028 1/20 0.43
ABL1 P00519 1/20 0.43
PPARG P37231 1/20 0.43
RIN1 Q13671 1/20 0.43

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
SCHEMBL516265 0.82 TOP1 (0.49) MAOBMAOATDP1GRM5NPC1
SCHEMBL515457 0.79 MAOB (0.43) MAOBMAOABRD4TDP1GRM5
SCHEMBL16937202 0.79 OPRM1 (0.53) MAOBMAOATDP1RAB9ASMN1; SMN2
SCHEMBL16937232 0.78 HPD (0.55) MAOBMAOAHPDGRM5
SCHEMBL515347 0.77 SRD5A1 (0.41) MAOBMAOABRD4TDP1GRM5
SCHEMBL516169 0.77 MAOB (0.41) MAOBMAOABRD4TDP1GRM5
SCHEMBL24483177 0.77 MAOB (0.65) MAOBMAOABRD4HPDTDP1
SCHEMBL515854 0.75 MAOB (0.43) MAOBMAOATDP1GRM5NPC1
SCHEMBL515937 0.75 MAOB (0.43) MAOBMAOATDP1GRM5NPC1
SCHEMBL10192897 0.73 BRD4 (0.51) MAOBMAOABRD4HPDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102642-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and methods of controlling weeds SYNGENTA LIMITED (GB) 2015-08-11 US disclosed
EP-2393796-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2015-02-25 EP disclosed
US-20120021909-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
EP-2393796-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2011-12-14 EP disclosed
WO-2010089211-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-08-12 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-20120021909-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 MAOB 2064/4885MAOA 2359/4885BRD4 2341/4885

“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.