SCHEMBL16019404

SCHEMBL16019404

COc1cccc(-n2cccc(C(C)(C)C(C)(C)C)c2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.45
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 1/20 0.43
GRM1 Q13255 1/20 0.43
RAB9A P51151 1/20 0.41
EGFR P00533 2/20 0.41
PMM2 O15305 1/20 0.41
MPI P34949 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.40
MIF P14174 1/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL16019392 0.84 THRB (0.40) MGLLKDM4ELMNAPOLBPKM
SCHEMBL16019397 0.83 L3MBTL1 (0.42) MGLLALDH1A1MPIPOLBMIF
SCHEMBL16019401 0.81 HTT (0.47) ALDH1A1PMM2MPILMNAPKM
SCHEMBL16019389 0.80 NSD2 (0.42) EGFR
SCHEMBL1346658 0.79 ALDH1A1 (0.50) MGLLALDH1A1KDM4EHPGDGRM1
SCHEMBL16019396 0.79 ALDH1A1 (0.53) ALDH1A1KDM4ERAB9APOLBMAPT
SCHEMBL18050078 0.73 MGLL (0.54) MGLLALDH1A1KDM4EHPGDPMM2
SCHEMBL29908864 0.73 KDM4E (0.51) MGLLALDH1A1KDM4EHPGDRAB9A
SCHEMBL8139141 0.72 NOTUM (0.51) MGLLALDH1A1RAB9APKM
SCHEMBL27928302 0.71 FGFR1 (0.44) MGLLALDH1A1KDM4EHPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9693556-B2 Herbicidal pyridazinone derivatives SYNGENTA LIMITED (GB) 2017-07-04 US disclosed
US-9693556-B2 Herbicidal pyridazinone derivatives SYNGENTA LIMITED (GB) 2017-07-04 US disclosed
US-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES SYNGENTA LIMITED (GB) 2014-09-11 US disclosed
US-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES SYNGENTA LIMITED (GB) 2014-09-11 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-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES PRDX6, PRDX1, CBR3 MGLL 3816/4885ALDH1A1 861/4885KDM4E 1770/4885

“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.