SCHEMBL17808271

SCHEMBL17808271

CC(C)(C)OC(=O)c1cnc(C(C)(C)C)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
JUN P05412 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
NR1H2 P55055 5/20 0.36
RXRA P19793 4/20 0.36
NR1H3 Q13133 4/20 0.36
ASPH Q12797 1/20 0.36
GABRA1 P14867 3/20 0.35
GABRG2 P18507 3/20 0.35
GABRB3 P28472 3/20 0.35
GABRA5 P31644 3/20 0.35
GABRA3 P34903 3/20 0.35
GABRA2 P47869 3/20 0.35
GABRA4 P48169 3/20 0.35
GABRA6 Q16445 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CFTR P13569 3/20 0.35

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
SCHEMBL18699191 0.86 MAPT (0.37) MAPTJUNNFKB1NFKB2RELA
SCHEMBL16454401 0.85 JUN (0.43) MAPTJUNNFKB1NFKB2RELA
SCHEMBL17816209 0.83 MAPT (0.39) MAPTASPHMEN1KMT2ACFTR
SCHEMBL17796812 0.82 MAPT (0.45) MAPTJUNNFKB1NFKB2RELA
SCHEMBL8559321 0.79 MAPT (0.43) MAPTJUNNFKB1NFKB2RELA
SCHEMBL28950798 0.78 NFKB1 (0.40) MAPTJUNNFKB1NFKB2RELA
SCHEMBL17816217 0.78 KMT2A (0.43) NFKB1ASPHMEN1KMT2ACFTR
SCHEMBL17816208 0.77 POLB (0.41) MAPTASPHNPSR1
SCHEMBL17816219 0.76 MEN1 (0.46) MAPTNFKB1ASPHGABRA5MEN1
SCHEMBL17808248 0.75 ASPH (0.33) MAPTASPHMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 US disclosed
US-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 US disclosed
US-9611248-B2 Chemical compounds SYNGENTA LIMITED (GB) 2017-04-04 US disclosed
US-9611248-B2 Chemical compounds SYNGENTA LIMITED (GB) 2017-04-04 US disclosed
US-20160159781-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 US disclosed
US-20160159767-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 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 (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-20160159781-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 MAPT 4454/4885JUN 3749/4885NFKB1 2759/4885
US-20160159767-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 MAPT 4454/4885JUN 3749/4885NFKB1 2759/4885

“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.