SCHEMBL16029355

SCHEMBL16029355

O=C(O)C(O)=Cc1cccc(O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
CCNB2 O95067 1/20 0.48
CDK1 P06493 1/20 0.48
CDK4 P11802 1/20 0.48
CCNB1 P14635 1/20 0.48
CCND1 P24385 1/20 0.48
CCNB3 Q8WWL7 1/20 0.48
LCK P06239 2/20 0.48
GFER P55789 1/20 0.47
MMP1 P03956 2/20 0.46
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA6 P23280 1/20 0.45
CA9 Q16790 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
FBP1 P09467 1/20 0.44
MAOA P21397 1/20 0.44

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
SCHEMBL16029354 1.00 KDM4E (0.62) KDM4ECCNB2CDK1CDK4CCNB1
SCHEMBL30513704 1.00 KDM4E (0.62) KDM4ECCNB2CDK1CDK4CCNB1
SCHEMBL16029353 1.00 KDM4E (0.62) KDM4ECCNB2CDK1CDK4CCNB1
SCHEMBL6381221 0.84 KDM4E (0.62) KDM4ECCNB2CDK1CDK4CCNB1
Phenol SCHEMBL15014256 0.83 AKR1C3 (0.52) KDM4EMMP1MMP2MMP9CA12
SCHEMBL10783473 0.83 KDM4E (0.53) KDM4ECCNB2CDK1CDK4CCNB1
SCHEMBL12553419 0.81 KDM4E (0.58) KDM4ECCNB2CDK1CDK4CCNB1
SCHEMBL11044928 0.81 KDM4E (0.58) KDM4ECCNB2CDK1CDK4CCNB1
SCHEMBL1137220 0.81 AKR1C3 (0.66) KDM4ECCNB2CDK1CDK4CCNB1
SCHEMBL11044925 0.81 KDM4E (0.58) KDM4ECCNB2CDK1CDK4CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116496694-B Supermolecular modified organic silicon marine antifouling paint and preparation method thereof 常熟理工学院 2024-05-03 CN claimed
CN-116496694-A Supermolecular modified organic silicon marine antifouling paint and preparation method thereof 常熟理工学院 2023-07-28 CN claimed
CN-116496694-B Supermolecular modified organic silicon marine antifouling paint and preparation method thereof 常熟理工学院 2024-05-03 CN disclosed
CN-116496694-A Supermolecular modified organic silicon marine antifouling paint and preparation method thereof 常熟理工学院 2023-07-28 CN disclosed
US-8993762-B2 Total synthesis of thaxtomin A analogues and their intermediates MARRONE BIO INNOVATIONS, INC. (US) 2015-03-31 US disclosed
WO-2014149171-A1 TOTAL SYNTHESIS OF THAXTOMIN A ANALOGUES AND THEIR INTERMEDIATES MARRONE BIO INNOVATIONS, INC. (US) 2014-09-25 WO disclosed
US-20140275541-A1 TOTAL SYNTHESIS OF THAXTOMIN A ANALOGUES AND THEIR INTERMEDIATES PRO FARM GROUP, INC. 2014-09-18 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 (1 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-20140275541-A1 TOTAL SYNTHESIS OF THAXTOMIN A ANALOGUES AND THEIR INTERMEDIATES HAAO, GART, TDO2 KDM4E 2083/4885CCNB2 3376/4885CDK1 3875/4885

“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.