SCHEMBL15782836

SCHEMBL15782836

CC(C)(C)OC(=O)Oc1c(C(=O)Oc2ccccc2)c(CBr)cc2c1ccn2C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
NR1H2 P55055 7/20 0.33
NR1H3 Q13133 1/20 0.32
PDE10A Q9Y233 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ELANE P08246 1/20 0.32
HTR6 P50406 1/20 0.32
EPHX1 P07099 1/20 0.31
AKT1 P31749 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
ACHE P22303 1/20 0.30
ADAM17 P78536 1/20 0.30

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
SCHEMBL18258086 0.86 L3MBTL1 (0.32) L3MBTL1NR1H2NR1H3MAPTRAB9A
SCHEMBL15782829 0.86 ACLY (0.36) L3MBTL1NR1H2NR1H3PDE10AMAPT
SCHEMBL15782827 0.80 MAPT (0.33) L3MBTL1NR1H2PDE10AMAPTRAB9A
SCHEMBL10161423 0.78 MAPT (0.36) MAPTRAB9ANPSR1ELANE
SCHEMBL14220489 0.78 MAPT (0.34) L3MBTL1NR1H2MAPTELANE
SCHEMBL10161335 0.77 MTNR1A (0.36) L3MBTL1MAPTNPSR1
SCHEMBL15782921 0.75 L3MBTL1 (0.39) L3MBTL1NR1H2MAPTAKT1
SCHEMBL10161362 0.75 ELANE (0.31) ELANEAKT1
SCHEMBL10161473 0.74 ELANE (0.31) ELANE
SCHEMBL15782845 0.74 KCNA3 (0.34) L3MBTL1MAPTRAB9AELANE

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 L3MBTL1 473/4885NR1H2 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.