SCHEMBL15782829

SCHEMBL15782829

CC(C)(C)OC(=O)Oc1c(C(=O)Oc2ccccc2)c(CBr)cc2ccn(C(=O)OC(C)(C)C)c12

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.36
NR1H2 P55055 10/20 0.33
NR1H3 Q13133 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ELANE P08246 1/20 0.32
TNK2 Q07912 1/20 0.32
PDE10A Q9Y233 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 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
SCHEMBL15782836 0.86 L3MBTL1 (0.36) NR1H2NR1H3L3MBTL1MAPTRAB9A
SCHEMBL15782827 0.84 MAPT (0.33) NR1H2L3MBTL1MAPTRAB9ANPSR1
SCHEMBL10161423 0.80 MAPT (0.36) MAPTRAB9ANPSR1ELANE
SCHEMBL14220489 0.78 MAPT (0.34) NR1H2L3MBTL1MAPTELANE
SCHEMBL15782825 0.78 MAPT (0.36) NR1H2NR1H3L3MBTL1MAPTELANE
SCHEMBL15782845 0.78 KCNA3 (0.34) L3MBTL1MAPTRAB9AELANE
SCHEMBL12948220 0.78 ALDH1A1 (0.43) NR1H2L3MBTL1MAPTRAB9ANPSR1
SCHEMBL15782826 0.76 BRD4 (0.33) MAPTELANE
SCHEMBL15782921 0.76 L3MBTL1 (0.39) NR1H2L3MBTL1MAPTTNK2
SCHEMBL10161473 0.75 ELANE (0.31) ELANE

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-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 (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-20140163238-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC ACLY 2210/4885NR1H2 2886/4885NR1H3 3014/4885

“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.