SCHEMBL12901287

SCHEMBL12901287

CC(C)(CCC(CO)COc1ccc(OC(F)(F)F)cc1)[Si](C)(C)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.39
APP P05067 6/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
MAOB P27338 1/20 0.35
AOC3 Q16853 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MMP2 P08253 4/20 0.34
MMP1 P03956 3/20 0.34
MMP9 P14780 3/20 0.34
MMP3 P08254 2/20 0.33
EPHX2 P34913 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
VNN1 O95497 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL12901288 0.90 CASR (0.38) CASRL3MBTL1HRH3MAOBAOC3
SCHEMBL1228985 0.78 CASR (0.40) CASRAPPL3MBTL1HRH3MAOB
SCHEMBL12901290 0.76 KCNH2 (0.42) HRH3ALDH1A1MMP2MMP1MMP9
SCHEMBL16364419 0.73 PPARD (0.41) CASRL3MBTL1HRH3MAOBAOC3
SCHEMBL28615740 0.68 LMNA (0.58) CASRL3MBTL1HRH3MAOBAOC3
SCHEMBL16563451 0.68 ACACB (0.46) ALDH1A1EPHX2NR1H4
SCHEMBL1228844 0.68 CASR (0.37) CASRL3MBTL1HRH3MAOBAOC3
SCHEMBL13676825 0.67 CCR6 (0.47) CASRL3MBTL1HRH3MAOBAOC3
SCHEMBL12901758 0.67
SCHEMBL14971115 0.66 SLC6A4 (0.36) ALDH1A1EPHX2NR1H4

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-8293734-B2 Nitroimidazooxazine and nitroimidazooxazole analogues and their uses GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2012-10-23 US disclosed
US-20110028466-A1 NITROIMIDAZOOXAZINE AND NITROIMIDAZOOXAZOLE ANALOGUES AND THEIR USES GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2011-02-03 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-20110028466-A1 NITROIMIDAZOOXAZINE AND NITROIMIDAZOOXAZOLE ANALOGUES AND THEIR USES NOX5, NQO2, SIRT5 CASR 4355/4885APP 4403/4885L3MBTL1 2205/4885

“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.