SCHEMBL10161353

SCHEMBL10161353

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.38
MAPT P10636 7/20 0.38
NPSR1 Q6W5P4 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR1A P08908 1/20 0.37
KMT2A Q03164 6/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 4/20 0.35
HPGD P15428 3/20 0.35
CYP3A4 P08684 1/20 0.35
GFER P55789 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ELANE P08246 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
ATM Q13315 2/20 0.35
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL10160837 0.86 ELANE (0.36) POLBMAPTNPSR1CYP1A2CYP2C9
SCHEMBL10161335 0.86 MTNR1A (0.36) POLBMAPTNPSR1HTR1AKMT2A
SCHEMBL10161368 0.82 POLB (0.35) POLBMAPTNPSR1CYP1A2CYP2C9
SCHEMBL10161339 0.80 MRGPRX4 (0.46) MAPTKMT2AL3MBTL1TP53MEN1
SCHEMBL10196117 0.79 MEN1 (0.43) POLBMAPTKMT2AL3MBTL1TP53
SCHEMBL10161454 0.78 MAPT (0.39) POLBMAPTNPSR1CYP1A2CYP2C9
SCHEMBL10160466 0.77 MAPT (0.36) POLBMAPTNPSR1CYP1A2CYP2C9
SCHEMBL9286091 0.76 MAPT (0.43) POLBMAPTNPSR1HTR1AKMT2A
SCHEMBL10160980 0.75 MEN1 (0.39) MAPTCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL1534096 0.75 ELANE (0.41) POLBMAPTNPSR1CYP1A2CYP2C9

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 POLB 3931/4885MAPT 734/4885NPSR1 2838/4885

“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.