SCHEMBL106430

SCHEMBL106430

COC(=O)C(C)CC(Br)C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.38
CA14 Q9ULX7 3/20 0.35
CA12 O43570 2/20 0.33
MME P08473 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ESRRB O95718 1/20 0.32
TSHR P16473 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL16638169 0.88 ZDHHC7 (0.42) ZDHHC7SMN1; SMN2CA14MMECA1
SCHEMBL1415280 0.85 ZDHHC7 (0.54) ZDHHC7SMN1; SMN2CA14CA12MME
SCHEMBL105448 0.85 CA12 (0.38) ZDHHC7SMN1; SMN2CA14CA12CA1
SCHEMBL12190597 0.85 ZDHHC7 (0.40) ZDHHC7SMN1; SMN2MMECA1CA2
SCHEMBL29038034 0.84 ZDHHC7 (0.48) ZDHHC7SMN1; SMN2CA14CA12MME
SCHEMBL936362 0.84 ZDHHC7 (0.48) ZDHHC7SMN1; SMN2CA14CA12MME
SCHEMBL6683720 0.84 ZDHHC7 (0.48) ZDHHC7SMN1; SMN2CA14CA12MME
SCHEMBL24072865 0.83 SMN1; SMN2 (0.46) ZDHHC7SMN1; SMN2CA14CA12MME
SCHEMBL1557617 0.83 SMN1; SMN2 (0.46) ZDHHC7SMN1; SMN2CA14CA12MME
SCHEMBL13624472 0.82 ZDHHC7 (0.49) ZDHHC7SMN1; SMN2CA1CA2TSHR

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 ZDHHC7 1707/4885SMN1; SMN2 4881/4885CA14 2214/4885

“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.