SCHEMBL10160476

SCHEMBL10160476

COC(=O)c1c(C)cc2ccc(Br)cc2c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
TSHR P16473 2/20 0.44
HTT P42858 1/20 0.44
NR4A2 P43354 1/20 0.43
HPGD P15428 2/20 0.41
CYP3A4 P08684 2/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ACHE P22303 1/20 0.40
RXFP1 Q9HBX9 2/20 0.39
CHEK1 O14757 1/20 0.39
NCEH1 Q6PIU2 2/20 0.38
MAPT P10636 1/20 0.38
PTGFR P43088 1/20 0.36

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
SCHEMBL10160471 0.84 MAPT (0.42) L3MBTL1CA12CA9HPGDCYP3A4
SCHEMBL10160474 0.84 TSHR (0.45) L3MBTL1CA12CA9TSHRHTT
SCHEMBL10161418 0.75 CYP3A4 (0.44) L3MBTL1CA12CA9TSHRHTT
SCHEMBL10160847 0.74 CA12 (0.41) CA12CA9NR4A2HPGDCYP3A4
SCHEMBL2662949 0.74 CYP3A4 (0.56) CA12CA9HTTHPGDCYP3A4
SCHEMBL11509901 0.74 RXFP1 (0.55) L3MBTL1TSHRHTTLMNASMN1; SMN2
SCHEMBL10196589 0.73 ATM (0.43) L3MBTL1TSHRHTTLMNASMN1; SMN2
SCHEMBL6605876 0.72 HPGD (0.57) CA12CA9NR4A2HPGDCYP3A4
SCHEMBL10161449 0.71 MAPT (0.54) TSHRHPGDLMNAALDH1A1MAPT
SCHEMBL16191707 0.71 POLB (0.53) TSHRHTTHPGDCYP3A4SMN1; SMN2

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 L3MBTL1 4505/4885CA12 1367/4885CA9 2874/4885

“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.