SCHEMBL19303271

SCHEMBL19303271

C#CCNC(=O)C(C)(C)CC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAOB P27338 1/20 0.31
CTH P32929 1/20 0.30
RIPK1 Q13546 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
SCHEMBL21419974 0.82 RIPK1 (0.34) RIPK1
SCHEMBL19303393 0.81 RIPK1 (0.46) CA12CA1CA2CA9CA14
SCHEMBL3967600 0.78 CA1 (0.38) CA12CA1CA2CA9CA14
SCHEMBL19527241 0.76 RIPK1 (0.36) RIPK1
SCHEMBL13561305 0.76 CA12 (0.34) CA12CA1CA2CA9CA14
SCHEMBL22758126 0.74 SMN1; SMN2 (0.39) SMN1; SMN2RIPK1
SCHEMBL30069470 0.72 CA12 (0.33) CA12CA1CA2CA9CA14
SCHEMBL21946461 0.72 KDM4C (0.42) SMN1; SMN2RIPK1
SCHEMBL12180236 0.72 CNR1 (0.44) CA14SMN1; SMN2RIPK1
SCHEMBL68609 0.71 SMN1; SMN2 (0.50) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11116211-B2 Modification of segmented polyurethane properties by copolymerizing with pendant functionalized diols THE UNIVERSITY OF AKRON (US) 2021-09-14 US disclosed
US-20190297883-A1 Modification of Segmented Polyurethane Properties by Copolymerizing with Pendant Functionalized Diols THE UNIVERSITY OF AKRON 2019-10-03 US disclosed
US-20170247506-A1 BIODEGRADABLE POLYMERS WITH PENDANT FUNCTIONAL GROUPS ATTACHED THROUGH AMIDE BONDS THE UNIVERSITY OF AKRON 2017-08-31 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 (2 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-20190297883-A1 Modification of Segmented Polyurethane Properties by Copolymerizing with Pendant Functionalized Diols SMCHD1, PUF60, DNER CA12 1318/4885CA1 2180/4885CA2 3917/4885
US-11116211-B2 Modification of segmented polyurethane properties by copolymerizing with pendant functionalized diols SMCHD1, PUF60, DNER CA12 1318/4885CA1 2180/4885CA2 3917/4885

“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.