SCHEMBL516287

SCHEMBL516287

CCc1cc(Oc2ccc(Cl)cc2)ccc1C1=C(O)CCC1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.36
MAOA P21397 2/20 0.36
HTR2A P28223 2/20 0.36
SLC6A4 P31645 2/20 0.36
KCNH2 Q12809 2/20 0.36
ELANE P08246 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
HSD17B1 P14061 1/20 0.35
S1PR5 Q9H228 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 1/20 0.33
HIF1A Q16665 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
SCHEMBL10196155 0.90 MAOA (0.39) MAOBMAOAHTR2ASLC6A4KCNH2
SCHEMBL10187648 0.88 MEN1 (0.36) MAOBMAOAHTR2ASLC6A4KCNH2
SCHEMBL10195108 0.83 MAOA (0.41) MAOBMAOAHTR2ASLC6A4KCNH2
SCHEMBL10187650 0.83 PDE4B (0.34) HTR2ASLC6A4KCNH2ALDH1A1LMNA
SCHEMBL19070665 0.82 MAOA (0.41) MAOBMAOAELANEALDH1A1LMNA
SCHEMBL10196025 0.79 HSP90AA1 (0.41) HTR2ASLC6A4KCNH2HIF1A
SCHEMBL10196150 0.78 HTR2A (0.42) HTR2ASLC6A4KCNH2LMNAHIF1A
SCHEMBL10196154 0.78 LTB4R (0.37) MAOBMAOAHSD17B1MEN1KMT2A
SCHEMBL10196167 0.78 MAOB (0.42) MAOBMAOAALDH1A1HSD17B1MEN1
SCHEMBL10196044 0.77 MAOA (0.39) MAOBMAOAELANEALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393769-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2014-12-10 EP disclosed
EP-2393769-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2014-12-10 EP disclosed
US-8680339-B2 Herbicides SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
US-8680339-B2 Herbicides SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
US-8680339-B2 Herbicides SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
US-20120028800-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-02-02 US disclosed
US-20120028800-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-02-02 US disclosed
US-20120028800-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-02-02 US disclosed
EP-2393769-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2011-12-14 EP disclosed
WO-2010089210-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-08-12 WO disclosed
WO-2010089210-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-20120028800-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 MAOB 2064/4885MAOA 2359/4885HTR2A 1320/4885

“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.