SCHEMBL11949075

SCHEMBL11949075

COC1CCC(C#N)(NC(=O)CC#N)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.37
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.34
CTSS P25774 3/20 0.33
CTSK P43235 3/20 0.33
CTSB P07858 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CTSL P07711 1/20 0.32
CTSC P53634 1/20 0.32

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
SCHEMBL11949751 0.85 CTDSP1 (0.34) CTDSP1CTSSCTSKCTSBCTSL
SCHEMBL11941321 0.83 MCL1 (0.40) MCL1KMT2AALDH1A1CYP3A4CTSS
SCHEMBL11941319 0.72 CTSK (0.35) CTSSCTSKCTSBCTSLCTSC
SCHEMBL15461529 0.69 SLC6A4 (0.33) GAA
SCHEMBL11259657 0.68 LMNA (0.42) ALDH1A1CTSSCTSKCTSBTDP1
SCHEMBL15427227 0.67 CTSS (0.42) ALDH1A1CTSSCTSKCTSBTDP1
SCHEMBL11321743 0.66 CTSS (0.33) ALDH1A1CTSSCTSKCTSBPOLB
SCHEMBL11247776 0.66 CTSL (0.35) ALDH1A1CTSSCTSKCTSBGAA
SCHEMBL11252169 0.66 NPC1 (0.35) ALDH1A1CTSSCTSKCTSBTDP1
SCHEMBL11268552 0.66 CTSL (0.35) ALDH1A1CTSSCTSKCTSBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9272997-B2 Process for the preparation of 1-H-pyrrolidine-2,4-dione derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-01 US disclosed
US-20140371468-A1 Process for the Preparation of 1-H-pyrrolidine-2,4-dione Derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2014-12-18 US disclosed
US-8859782-B2 Process for the preparation of 1-H-pyrrolidine-2,4-dione derivatives BAYER CROPSCIENCE AG (DE) 2014-10-14 US disclosed
US-20120190865-A1 Process for the Preparation of 1-H-pyrrolidine-2,4-dione Derivatives BAYER CROPSCIENCE AG (DE) 2012-07-26 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-20120190865-A1 Process for the Preparation of 1-H-pyrrolidine-2,4-dione Derivatives DHPS, HPD, DOHH MCL1 1509/4885KMT2A 2236/4885ALDH1A1 318/4885
US-20140371468-A1 Process for the Preparation of 1-H-pyrrolidine-2,4-dione Derivatives DHPS, HPD, DOHH MCL1 1509/4885KMT2A 2236/4885ALDH1A1 318/4885

“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.