SCHEMBL15782811

SCHEMBL15782811

CCc1occc(=O)c1C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.39
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
KCNA3 P22001 8/20 0.34
CA9 Q16790 1/20 0.33
TP53 P04637 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
SCHEMBL12948211 0.86 CA12 (0.41) CA12KDM4ELMNAKCNA3CA9
SCHEMBL21327093 0.85 TP53 (0.40) KDM4ELMNATP53
SCHEMBL9631521 0.81 TSHR (0.39) CA12KDM4ELMNACA9TP53
E637 SCHEMBL14990891 0.76 KDM4E (0.48) KDM4ELMNATP53
E637 SCHEMBL41817 0.75 KDM4E (0.55) KDM4ELMNA
E637 SCHEMBL1870685 0.75 KDM4E (0.55) KDM4ELMNA
SCHEMBL15782799 0.75 TP53 (0.39) LMNATP53
E637 SCHEMBL23309786 0.73 KDM4E (0.53) KDM4ELMNA
E637 SCHEMBL8026696 0.73 KDM4E (0.53) KDM4ELMNA
E637 SCHEMBL6657728 0.73 KDM4E (0.53) KDM4ELMNA

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
EP-3138831-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF President and Fellows of Harvard College (US) 2017-03-08 EP disclosed
US-20160340325-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-24 US disclosed
US-9365493-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-06-14 US disclosed
US-20140163238-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-12 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-20140163238-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC CA12 4122/4885KDM4E 800/4885LMNA 3030/4885
US-20160340325-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC CA12 4122/4885KDM4E 800/4885LMNA 3030/4885

“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.