SCHEMBL10160846

SCHEMBL10160846

COC(=O)c1c(C)cc2c(Br)cccc2c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CYP3A4 P08684 5/20 0.44
ACHE P22303 1/20 0.44
PTGES O14684 1/20 0.43
PTPN1 P18031 1/20 0.43
HPGD P15428 2/20 0.42
NR4A2 P43354 2/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 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
SCHEMBL10160847 0.84 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL10196157 0.77 THRA (0.40) HPGDKDM4EMAPTCYP1A2CYP2C9
SCHEMBL10161344 0.76 MAPT (0.51) HPGDMAPTPKMHSD17B10ALDH1A1
SCHEMBL833170 0.74 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL10161418 0.73 CYP3A4 (0.44) CA12CA1CA2CA7CA9
SCHEMBL10160474 0.73 TSHR (0.45) CA12CA1CA2CA7CA9
SCHEMBL851838 0.73 CA1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL2662948 0.73 CYP3A4 (0.62) CA12CA1CA2CA7CA9
SCHEMBL28283411 0.73 MEN1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL434350 0.73 CA12 (0.47) CA12CA1CA2CA7CA9

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 CA12 1367/4885CA1 1430/4885CA2 651/4885

“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.