SCHEMBL18329616

SCHEMBL18329616

CC1(C)CC(NCCO)CC(C)(C)N1O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 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
SCHEMBL8463474 0.84 HDAC4 (0.30)
SCHEMBL5400361 0.84 GAA (0.40) GAAKDM4EL3MBTL1KMT2A
SCHEMBL2963209 0.84 GAA (0.40) GAAKDM4EL3MBTL1KMT2A
SCHEMBL2962376 0.84 GAA (0.40) GAAKDM4EL3MBTL1KMT2A
SCHEMBL16678854 0.82
SCHEMBL5697706 0.82 GAA (0.39) GAAKDM4EL3MBTL1KMT2A
Hydrochloric Acid SCHEMBL5048328 0.82 GAA (0.42) GAAKDM4EL3MBTL1KMT2A
SCHEMBL28996662 0.82 MAOB (0.37) GAAKDM4EKMT2A
SCHEMBL870336 0.81 GAA (0.38) GAAKDM4EL3MBTL1KMT2A
SCHEMBL7044879 0.79 GBA1 (0.43) GAAKDM4EKMT2A

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
EP-3310819-B1 COMPOSITION FOR IMMEDIATELY ENDING RADICAL POLYMERIZATION BASF SE (DE) 2019-06-12 EP disclosed
US-10221255-B2 Composition for the immediate stopping of a free-radical polymerization BASF SE (DE) 2019-03-05 US disclosed
US-20180171035-A1 COMPOSITION FOR THE IMMEDIATE STOPPING OF A FREE-RADICAL POLYMERIZATION BASF SE (DE) 2018-06-21 US disclosed
US-20180171035-A1 COMPOSITION FOR THE IMMEDIATE STOPPING OF A FREE-RADICAL POLYMERIZATION BASF SE (DE) 2018-06-21 US disclosed
WO-2016202883-A1 COMPOSITION FOR IMMEDIATELY ENDING RADICAL POLYMERIZATION BASF SE (DE) 2016-12-22 WO 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-10221255-B2 Composition for the immediate stopping of a free-radical polymerization FASTKD5, TYK2, FASTKD1 GAA 4489/4885KDM4E 2885/4885L3MBTL1 3957/4885
US-20180171035-A1 COMPOSITION FOR THE IMMEDIATE STOPPING OF A FREE-RADICAL POLYMERIZATION FASTKD5, TYK2, FASTKD1 GAA 4489/4885KDM4E 2885/4885L3MBTL1 3957/4885

“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.