SCHEMBL21538751

SCHEMBL21538751

CCOC(=O)/C(=C/OC1C=C(C)C(=O)O1)C1CCCc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.37
HPGD P15428 2/20 0.36
ALDH1A1 P00352 4/20 0.36
HTT P42858 2/20 0.35
XBP1 P17861 1/20 0.35
CRBN Q96SW2 1/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
PTGER4 P35408 1/20 0.34
FFAR1 O14842 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL21538717 0.97 NFE2L2 (0.36) NFE2L2HPGDALDH1A1HTTXBP1
SCHEMBL19984944 0.94 NFE2L2 (0.38) NFE2L2ALDH1A1MAPT
SCHEMBL19984937 0.88 NFE2L2 (0.37) NFE2L2HPGDALDH1A1KMT2AKDM4E
SCHEMBL19984924 0.84 PIN1 (0.41) NFE2L2
SCHEMBL21538750 0.83 HPGD (0.38) NFE2L2HPGDALDH1A1HTTXBP1
SCHEMBL21538770 0.83 NFE2L2 (0.37) NFE2L2KMT2AMEN1FFAR1
SCHEMBL19985043 0.83 HPGD (0.36) HPGDALDH1A1HTTXBP1CRBN
SCHEMBL19985052 0.83 NFE2L2 (0.35) NFE2L2ALDH1A1KMT2AMEN1MAPT
SCHEMBL23877351 0.82 NFE2L2 (0.40) NFE2L2CRBN
SCHEMBL21538698 0.82 NFE2L2 (0.37) NFE2L2

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 NFE2L2 2365/4885HPGD 1966/4885ALDH1A1 3543/4885
US-20190330148-A1 PLANT GROWTH REGULATOR COMPOUNDS FGF1, MST1, CDC20 NFE2L2 2365/4885HPGD 1966/4885ALDH1A1 3543/4885

“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.