SCHEMBL19984930

SCHEMBL19984930

CNC(=O)/C(=C/OC1C=C(C)C(=O)O1)C1CCc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 6/20 0.39
PIN1 Q13526 4/20 0.38
PDPK1 O15530 1/20 0.35
ROCK1 Q13464 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KCNQ2 O43526 1/20 0.33
PPIB P23284 1/20 0.32
PPIA P62937 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
SCHEMBL19984921 1.00 NFE2L2 (0.39) NFE2L2PIN1PDPK1ROCK1TAS1R3
SCHEMBL19984924 0.89 PIN1 (0.41) NFE2L2PIN1PDPK1ROCK1KCNQ2
SCHEMBL23877351 0.89 NFE2L2 (0.40) NFE2L2PIN1ROCK1KCNQ2PPIB
SCHEMBL19984870 0.88 NFE2L2 (0.39) NFE2L2PIN1ROCK1PPIBPPIA
SCHEMBL19985039 0.88 NFE2L2 (0.39) NFE2L2PIN1ROCK1PPIBPPIA
SCHEMBL19984944 0.85 NFE2L2 (0.38) NFE2L2PIN1ROCK1ALDH1A1
SCHEMBL21538698 0.84 NFE2L2 (0.37) NFE2L2PIN1KCNQ2PPIBPPIA
SCHEMBL21538751 0.79 NFE2L2 (0.37) NFE2L2ALDH1A1
SCHEMBL21538717 0.79 NFE2L2 (0.36) NFE2L2ALDH1A1HSD17B10
SCHEMBL23877362 0.78 NFE2L2 (0.39) NFE2L2ALDH1A1

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
EP-3512843-B1 PLANT GROWTH REGULATOR COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-10-20 EP disclosed
US-11136292-B2 Plant growth regulator compounds SYNGENTA PARTICIPATIONS AG (CH) 2021-10-05 US disclosed
US-20190330148-A1 PLANT GROWTH REGULATOR COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-10-31 US disclosed
WO-2018050477-A1 PLANT GROWTH REGULATOR COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-03-22 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-11136292-B2 Plant growth regulator compounds FGF1, MST1, CDC20 NFE2L2 2365/4885PIN1 2117/4885PDPK1 1125/4885
US-20190330148-A1 PLANT GROWTH REGULATOR COMPOUNDS FGF1, MST1, CDC20 NFE2L2 2365/4885PIN1 2117/4885PDPK1 1125/4885

“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.