SCHEMBL21780198

SCHEMBL21780198

COC(=O)C(CCC(C)(C)C)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
CA12 O43570 3/20 0.35
CA14 Q9ULX7 3/20 0.35
CA7 P43166 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
CA9 Q16790 1/20 0.33
ZDHHC7 Q9NXF8 1/20 0.32
GRN P28799 1/20 0.31
SORT1 Q99523 1/20 0.31
PIK3CD O00329 1/20 0.31
GAA P10253 2/20 0.30
DGAT1 O75907 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL25658161 0.90 CA1 (0.41) CA1CA2SMN1; SMN2CA12CA14
SCHEMBL8400128 0.83 CA1 (0.31) CA1CA2CA7GAA
SCHEMBL17829999 0.81 CA1 (0.48) CA1CA2SMN1; SMN2CA12CA14
SCHEMBL10743898 0.79 CA1 (0.38) CA1CA2SMN1; SMN2CA12CA14
SCHEMBL2760604 0.78 SMN1; SMN2 (0.38) CA1CA2SMN1; SMN2CA12CA14
SCHEMBL16944234 0.78 CA2 (0.60) CA1CA2USP2LMNAZDHHC7
SCHEMBL30931647 0.77 CA1 (0.39) CA1CA2SMN1; SMN2CA12CA14
SCHEMBL30219079 0.77 CA1 (0.39) CA1CA2SMN1; SMN2CA12CA14
SCHEMBL15034671 0.76 ALDH1A1 (0.40) CA1CA2USP2GAAKMT2A
SCHEMBL3677006 0.76 USP2 (0.56) CA1CA2USP2LMNAZDHHC7

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
EP-3000854-B1 POLYMERIZABLE COMPOSITION, INK COMPOSITION FOR INK-JET RECORDING, METHOD OF INK-JET RECORDING, AND PRINTED ARTICLE FUJIFILM CORP (JP) 2020-03-04 EP disclosed
US-20160220558-A1 BENZOQUINOLINE INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 AUSPEX PHARMACUTICALS, INC. 2016-08-04 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-20160220558-A1 BENZOQUINOLINE INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 SLC18A2, SLC6A2, SLC18A1 CA1 4588/4885CA2 2766/4885SMN1; SMN2 2353/4885

“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.