SCHEMBL10160979

SCHEMBL10160979

COc1c(C)c(C(=O)Oc2ccccc2)c(O)c2cc(Br)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
GAA P10253 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 2/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX12 P18054 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NSD2 O96028 1/20 0.39
TP53 P04637 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39

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
SCHEMBL10160881 0.84 NSD2 (0.40) MAPTGAAALDH1A1CYP1A2MEN1
SCHEMBL10161057 0.84 ALDH1A1 (0.35) MAPTGAAALDH1A1CYP1A2MEN1
SCHEMBL10160886 0.83 NSD2 (0.39) MAPTGAAALDH1A1CYP1A2MEN1
SCHEMBL10160980 0.82 MEN1 (0.39) MAPTGAAALDH1A1CYP1A2MEN1
SCHEMBL10161197 0.81 MAPT (0.41) MAPTGAAALDH1A1CYP1A2MEN1
SCHEMBL10160882 0.81 MAPT (0.43) MAPTGAAALDH1A1CYP1A2MEN1
SCHEMBL10161226 0.80 MAPT (0.40) MAPTGAAALDH1A1CYP1A2MEN1
SCHEMBL10160924 0.80 MAPT (0.40) MAPTGAAALDH1A1CYP1A2MEN1
SCHEMBL12108786 0.80 NSD2 (0.41) MAPTGAAALDH1A1MEN1NPC1
SCHEMBL12110942 0.77 MAPT (0.39) MAPTALDH1A1MEN1NPC1KMT2A

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 MAPT 734/4885GAA 2938/4885ALDH1A1 1598/4885

“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.