SCHEMBL21160122

SCHEMBL21160122

COC(=O)CC1=C(C(=O)OC)C(=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
HSP90AB1 P08238 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
TSHR P16473 5/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 3/20 0.32
GAA P10253 3/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
PDGFRB P09619 1/20 0.31
FGFR1 P11362 1/20 0.31
PDGFRA P16234 1/20 0.31
FLT1 P17948 1/20 0.31
FGFR3 P22607 1/20 0.31

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
SCHEMBL19736433 0.78 TSHR (0.38) TP53HSP90AB1CYP4F2CYP4A11TSHR
SCHEMBL2139646 0.78 HSP90AB1 (0.40) TP53HSP90AB1CYP4F2CYP4A11TSHR
SCHEMBL16145890 0.77 ALDH1A1 (0.40) TP53TSHRALDH1A1KDM4EHPGD
SCHEMBL11662414 0.69 L3MBTL1 (0.43) TSHRALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL2142693 0.69 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL13331957 0.68 ALDH1A1 (0.33) ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL12616313 0.64 HSP90AB1 (0.37) TP53HSP90AB1CYP4F2CYP4A11TSHR
SCHEMBL1778889 0.64 TSHR (0.46) TP53HSP90AB1TSHRALDH1A1KDM4E
SCHEMBL11711812 0.64 TSHR (0.32) TSHRGAA
SCHEMBL17691537 0.63 KDM4E (0.34) TP53HSP90AB1CYP4F2CYP4A11TSHR

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
US-11905250-B2 Methods for preparation of jasmonate compounds VIDAC PHARMA LTD. (IL) 2024-02-20 US disclosed
US-20210078949-A1 METHODS FOR PREPARATION OF JASMONATE COMPOUNDS VIDAC PHARMA LTD. (IL) 2021-03-18 US disclosed
CN-111556861-A Preparation method of jasmonate compound 维达克制药有限公司 2020-08-18 CN disclosed
WO-2019135243-A1 METHODS FOR PREPARATION OF JASMONATE COMPOUNDS VIDAC PHARMA LTD (IL) 2019-07-11 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-11905250-B2 Methods for preparation of jasmonate compounds SQLE, FDFT1, FDPS TP53 4749/4885HSP90AB1 1526/4885CYP4F2 472/4885
US-20210078949-A1 METHODS FOR PREPARATION OF JASMONATE COMPOUNDS SQLE, FDFT1, FDPS TP53 4749/4885HSP90AB1 1526/4885CYP4F2 472/4885

“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.