SCHEMBL10194953

SCHEMBL10194953

CCc1ccc(I)cc1C1=C(O)CCCC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MAOA P21397 3/20 0.34
MAOB P27338 3/20 0.34
PRKCI P41743 1/20 0.34
HSD17B1 P14061 3/20 0.34
THRB P10828 3/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
WRN Q14191 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
RECQL P46063 2/20 0.32
BRD4 O60885 1/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL10194943 0.84 MAOA (0.36) KDM4EMAOAMAOBPRKCIHSD17B1
SCHEMBL11940679 0.80 HSD17B1 (0.39) KDM4EMAOAMAOBPRKCIHSD17B1
SCHEMBL11940723 0.80 HSD17B1 (0.39) KDM4EMAOAMAOBHSD17B1HTT
SCHEMBL11940726 0.79 POLB (0.42) HSD17B1THRBMAPTPOLBL3MBTL1
SCHEMBL11940722 0.78 MAPT (0.36) KDM4EMAOAMAOBPRKCIHSD17B1
SCHEMBL19071143 0.77 PBRM1 (0.46) KDM4EMAOAMAOBPRKCIHSD17B1
SCHEMBL10195133 0.77 MAOB (0.40) KDM4EMAOAMAOBHSD17B1MAPT
SCHEMBL10195108 0.77 MAOA (0.41) KDM4EMAOAMAOBMAPTMEN1
SCHEMBL10195110 0.77 MAOA (0.39) MAOAMAOBTHRBMAPTMEN1
SCHEMBL11940736 0.77 HSD17B1 (0.39) KDM4EMAOAMAOBHSD17B1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387569-B1 HERBCIDES SYNGENTA LTD (GB) 2016-06-15 EP disclosed
US-20140378305-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2014-12-25 US disclosed
US-20140378305-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2014-12-25 US disclosed
US-8865623-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and method of controlling weeds SYNGENTA LIMITED (GB) 2014-10-21 US disclosed
US-8865623-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and method of controlling weeds SYNGENTA LIMITED (GB) 2014-10-21 US disclosed
US-20120021907-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
US-20120021907-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
WO-2010081755-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-07-22 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 (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-20140378305-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 KDM4E 712/4885MAOA 1359/4885MAOB 1215/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 KDM4E 1092/4885MAOA 2359/4885MAOB 2064/4885

“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.