SCHEMBL10161335

SCHEMBL10161335

COc1cccc2c(OC(=O)OC(C)(C)C)c(C(=O)Oc3ccccc3)c(CBr)cc12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
KMT2A Q03164 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
MEN1 O00255 2/20 0.34
ATM Q13315 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33
HTR1A P08908 1/20 0.33
HPGDS O60760 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
SCHEMBL10161353 0.86 POLB (0.38) POLBMAPTNPSR1KMT2AL3MBTL1
SCHEMBL10161362 0.84 ELANE (0.31)
SCHEMBL15782825 0.81 MAPT (0.36) MTNR1AMTNR1BPOLBMAPTL3MBTL1
SCHEMBL10161423 0.79 MAPT (0.36) POLBMAPTNPSR1KMT2A
SCHEMBL14220489 0.79 MAPT (0.34) MAPTKMT2AL3MBTL1MEN1
SCHEMBL18258100 0.79 ELANE (0.40) MTNR1AMTNR1BPOLBMAPTNPSR1
SCHEMBL9286370 0.77 ELANE (0.36) MTNR1AMTNR1BPOLBMAPTNPSR1
SCHEMBL12948229 0.77 MAPT (0.40) MAPTNPSR1KMT2AL3MBTL1MEN1
SCHEMBL15782836 0.77 L3MBTL1 (0.36) MAPTNPSR1L3MBTL1
SCHEMBL10161473 0.76 ELANE (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115819-A1 Pentacycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-10 US disclosed
US-20120115819-A1 Pentacycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-10 US disclosed
WO-2010132670-A2 PENTACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. (US) 2010-11-18 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 (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-20120115819-A1 Pentacycline Compounds TSLP, IL5, IL17A MTNR1A 1038/4885MTNR1B 1246/4885POLB 3931/4885

“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.