SCHEMBL21538720

SCHEMBL21538720

CCOC(=O)/C(=C/OC1OC(=O)C(C)=C1C)C1CCCCc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 1/20 0.37
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 5/20 0.34
PTGER4 P35408 1/20 0.34
CRBN Q96SW2 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
HSD17B10 Q99714 1/20 0.33
XBP1 P17861 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.32
MEN1 O00255 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
SCHEMBL19985043 0.98 HPGD (0.36) ANO1HPGDKDM4EALDH1A1PTGER4
SCHEMBL19984922 0.94 PIN1 (0.37) ANO1ALDH1A1MAPT
SCHEMBL23877353 0.86 ALDH1A1 (0.38) KDM4EALDH1A1CRBNHSD17B10HTT
SCHEMBL19984925 0.84 PIN1 (0.41) ANO1ALDH1A1HSD17B10
SCHEMBL21538717 0.84 NFE2L2 (0.36) ANO1HPGDKDM4EALDH1A1PTGER4
SCHEMBL21538716 0.83 FFAR1 (0.35) KMT2AMEN1
SCHEMBL19985035 0.83 MGAM (0.34) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL23877356 0.82 PIN1 (0.40) ANO1KDM4EALDH1A1CRBNHSD17B10
SCHEMBL21538743 0.82 PIN1 (0.36) ANO1CRBNKMT2AMEN1
SCHEMBL21538772 0.81 SIGMAR1 (0.33) KDM4EALDH1A1HTTMAPT

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 3 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

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 ANO1 3784/4885HPGD 1966/4885KDM4E 3400/4885
US-20190330148-A1 PLANT GROWTH REGULATOR COMPOUNDS FGF1, MST1, CDC20 ANO1 3784/4885HPGD 1966/4885KDM4E 3400/4885

“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.