SCHEMBL104778

SCHEMBL104778

CC1(C)OCC(COC(=O)C(C)(C)CC(Br)c2ccccc2)O1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
CA2 P00918 1/20 0.36
APP P05067 1/20 0.35
HCRTR2 O43614 7/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HCRTR1 O43613 6/20 0.33
HTR7 P34969 1/20 0.33
NAMPT P43490 3/20 0.33
ADORA3 P0DMS8 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
SCHEMBL14036965 0.81 TMEM97 (0.39) TMEM97SIGMAR1CA2APPHCRTR2
SCHEMBL18286659 0.79 CA2 (0.43) TMEM97SIGMAR1CA2HTR7
SCHEMBL27559601 0.77 TMEM97 (0.46) TMEM97SIGMAR1CA2APPHCRTR2
SCHEMBL106425 0.76 CA2 (0.48) TMEM97SIGMAR1CA2APPHCRTR2
SCHEMBL10167848 0.75 CA2 (0.47) TMEM97SIGMAR1CA2APPHCRTR2
SCHEMBL106429 0.74 PIN1 (0.45) L3MBTL1
SCHEMBL11922847 0.73 CA2 (0.50) TMEM97SIGMAR1CA2APPHCRTR2
SCHEMBL6933031 0.73 ALDH1A1 (0.52) TMEM97SIGMAR1CA2HTR7
SCHEMBL2493185 0.73 ALDH1A1 (0.52) TMEM97SIGMAR1CA2HTR7
SCHEMBL9098184 0.73 ALDH1A1 (0.52) TMEM97SIGMAR1CA2HTR7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059173-A1 DENDRITIC MOLECULES THE UNIVERSITY OF QUEENSLAND (AU) 2012-03-08 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-20120059173-A1 DENDRITIC MOLECULES CD40LG, CD40, TLR3 TMEM97 358/4885SIGMAR1 1044/4885CA2 4103/4885

“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.