SCHEMBL16019356

SCHEMBL16019356

CCCCS(=O)(=O)c1ccccc1C(C)(C)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
SOAT1 P35610 2/20 0.35
RECQL P46063 1/20 0.35
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
AR P10275 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
PSIP1 O75475 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 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
SCHEMBL16019344 0.84 PSIP1 (0.43) RECQLTDP1PSIP1ADRA2CADRA1D
SCHEMBL20714808 0.83 KMT2A (0.46) ALDH1A1MEN1KMT2A
SCHEMBL1911906 0.75 KEAP1 (0.58) EPHX2KEAP1NFE2L2RECQLCA12
SCHEMBL20314686 0.75 HTR6 (0.50) NFE2L2SOAT1ALDH1A1
SCHEMBL28023659 0.74 PLCG1 (0.60) EPHX2KEAP1NFE2L2RECQLCA12
SCHEMBL28023021 0.74 KMT2A (0.43) EPHX2KEAP1NFE2L2RECQLTDP1
SCHEMBL14488968 0.73 HTR6 (0.44) EPHX2SOAT1
SCHEMBL28820921 0.72 CA12 (0.39) EPHX2KEAP1NFE2L2RECQLCA12
SCHEMBL14349353 0.72 BCAT2 (0.37) TDP1ADRA2CALDH1A1MEN1KMT2A
SCHEMBL4629452 0.71 CA1 (0.50) KEAP1NFE2L2CA9TDP1ALDH1A1

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 EPHX2 330/4885KEAP1 392/4885NFE2L2 3593/4885

“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.