SCHEMBL11930737

SCHEMBL11930737

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
RECQL P46063 1/20 0.31
KMT2A Q03164 2/20 0.31
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL19188233 0.82 ZDHHC7 (0.34) ZDHHC7CA1CA2SMN1; SMN2
SCHEMBL18930120 0.80 SMN1; SMN2 (0.34) ZDHHC7CA1CA2SMN1; SMN2KMT2A
SCHEMBL11320047 0.76 SMN1; SMN2 (0.39) ZDHHC7CA1CA2SMN1; SMN2RECQL
SCHEMBL5531442 0.76 ZDHHC7 (0.43) ZDHHC7CA1CA2SMN1; SMN2KMT2A
SCHEMBL18930119 0.74 CA14 (0.32) CA1CA2CA12CA14
SCHEMBL30170510 0.73 SMN1; SMN2 (0.42) ZDHHC7CA1CA2SMN1; SMN2KMT2A
SCHEMBL11287379 0.73 SMN1; SMN2 (0.40) ZDHHC7CA1CA2SMN1; SMN2KMT2A
SCHEMBL28301320 0.73 SMN1; SMN2 (0.42) ZDHHC7CA1CA2SMN1; SMN2KMT2A
SCHEMBL21598012 0.70 SMN1; SMN2 (0.37) ZDHHC7CA1CA2SMN1; SMN2RECQL
SCHEMBL8948329 0.69 SMN1; SMN2 (0.40) ZDHHC7CA1CA2SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170157264-A1 CROSS-LINKERS AND THEIR USES IMMUNOGEN, INC. 2017-06-08 US disclosed
US-9498541-B2 Cross-linkers and their uses IMMUNOGEN, INC. (US) 2016-11-22 US disclosed
US-20150352223-A1 CROSS-LINKERS AND THEIR USES IMMUNOGEN, INC. 2015-12-10 US disclosed
US-8236319-B2 Cross-linkers and their uses IMMUNOGEN, INC. (US) 2012-08-07 US disclosed
US-20090274713-A1 CROSS-LINKERS AND THEIR USES IMMUNOGEN INC. (US) 2009-11-05 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 (3 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-20090274713-A1 CROSS-LINKERS AND THEIR USES MTCL3, DCLRE1A, PCNA ZDHHC7 2098/4885CA1 284/4885CA2 779/4885
US-20150352223-A1 CROSS-LINKERS AND THEIR USES MTCL3, DCLRE1A, PCNA ZDHHC7 2098/4885CA1 284/4885CA2 779/4885
US-20170157264-A1 CROSS-LINKERS AND THEIR USES MTCL3, DCLRE1A, PCNA ZDHHC7 2098/4885CA1 284/4885CA2 779/4885

“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.