SCHEMBL21538697

SCHEMBL21538697

CC1=CC(O/C=C(\C(=O)N(C)C)C2CCc3ccccc32)OC1O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 7/20 0.37
PPIB P23284 1/20 0.32
PPIA P62937 1/20 0.32
RAB9A P51151 1/20 0.31
KCNQ2 O43526 1/20 0.30
ALDH1A1 P00352 1/20 0.30
XBP1 P17861 1/20 0.30
HTT P42858 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL19985039 0.83 NFE2L2 (0.39) PIN1PPIBPPIARAB9A
SCHEMBL19984870 0.83 NFE2L2 (0.39) PIN1PPIBPPIARAB9A
SCHEMBL23877351 0.71 NFE2L2 (0.40) PIN1PPIBPPIAKCNQ2
SCHEMBL19984921 0.71 NFE2L2 (0.39) PIN1PPIBPPIAKCNQ2ALDH1A1
SCHEMBL19984930 0.71 NFE2L2 (0.39) PIN1PPIBPPIAKCNQ2ALDH1A1
SCHEMBL19984924 0.69 PIN1 (0.41) PIN1PPIBPPIAKCNQ2
SCHEMBL19984944 0.68 NFE2L2 (0.38) PIN1ALDH1A1
SCHEMBL21538698 0.67 NFE2L2 (0.37) PIN1PPIBPPIAKCNQ2
SCHEMBL23877356 0.65 PIN1 (0.40) PIN1PPIBPPIAKCNQ2ALDH1A1
SCHEMBL19984925 0.63 PIN1 (0.41) PIN1PPIBPPIAKCNQ2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 PIN1 2117/4885PPIB 2189/4885PPIA 3038/4885
US-20190330148-A1 PLANT GROWTH REGULATOR COMPOUNDS FGF1, MST1, CDC20 PIN1 2117/4885PPIB 2189/4885PPIA 3038/4885

“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.