SCHEMBL10160474

SCHEMBL10160474

COC(=O)c1c(C)cc2ccc(Br)cc2c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
HTT P42858 1/20 0.45
CYP3A4 P08684 3/20 0.44
ACHE P22303 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NR4A2 P43354 1/20 0.43
LCK P06239 2/20 0.42
HPGD P15428 1/20 0.42
GLO1 Q04760 1/20 0.41
PTGES O14684 1/20 0.40
PTPN1 P18031 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
CHEK1 O14757 1/20 0.40
LMNA P02545 1/20 0.39
NCEH1 Q6PIU2 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 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
SCHEMBL10161418 0.88 CYP3A4 (0.44) TSHRHTTCYP3A4ACHEL3MBTL1
SCHEMBL10160476 0.84 L3MBTL1 (0.46) TSHRHTTCYP3A4ACHEL3MBTL1
SCHEMBL8347077 0.74 SMN1; SMN2 (0.55) HTTCYP3A4HPGDPTGESSMN1; SMN2
SCHEMBL10160846 0.73 CA12 (0.46) TSHRHTTCYP3A4ACHENR4A2
SCHEMBL2662948 0.73 CYP3A4 (0.62) CYP3A4ACHEL3MBTL1HPGDGLO1
SCHEMBL2176596 0.73 LCK (0.55) L3MBTL1NR4A2LCKHPGDALDH1A1
SCHEMBL11509901 0.72 RXFP1 (0.55) TSHRHTTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL610098 0.71 CYP3A4 (0.55) TSHRHTTCYP3A4ACHEHPGD
SCHEMBL3982399 0.71 GSK3B (0.56) NR4A2HPGDSMN1; SMN2ALDH1A1CHEK1
SCHEMBL2761737 0.71 CA12 (0.72) TSHRHTTNR4A2HPGDALDH1A1

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-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

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 TSHR 221/4885HTT 1052/4885CYP3A4 1169/4885

“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.