SCHEMBL2606640

SCHEMBL2606640

C=CCn1c(=O)n(C(=C)C)c(=O)n(C(=C)C)c1=O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.58
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 4/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 3/20 0.36
ATM Q13315 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
ADORA2B P29275 2/20 0.35
USP2 O75604 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
ADORA2A P29274 1/20 0.33

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
SCHEMBL2605173 0.96 CYP3A4 (0.64) CYP3A4NPSR1MAPTALDH1A1KMT2A
Acetone SCHEMBL11800599 0.79 CYP3A4 (0.76) CYP3A4NPSR1MAPTALDH1A1KMT2A
SCHEMBL12241417 0.78 MEN1 (0.35) KMT2AMEN1ATM
SCHEMBL12580004 0.76 CYP3A4 (0.64) CYP3A4NPSR1MAPTALDH1A1KMT2A
SCHEMBL12580005 0.76 CYP3A4 (0.64) CYP3A4NPSR1MAPTALDH1A1KMT2A
SCHEMBL28662 0.75 CYP3A4 (1.00) CYP3A4NPSR1MAPTALDH1A1KMT2A
SCHEMBL24669059 0.74 CYP3A4 (0.76) CYP3A4NPSR1MAPTALDH1A1KMT2A
SCHEMBL29860820 0.72 CYP3A4 (0.57) CYP3A4NPSR1MAPTALDH1A1KMT2A
SCHEMBL10997976 0.71 CYP3A4 (0.79) CYP3A4NPSR1MAPTALDH1A1KMT2A
SCHEMBL19722545 0.71 CYP3A4 (0.55) CYP3A4NPSR1MAPTALDH1A1KMT2A

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
US-20120095225-A1 METHOD OF STORING TRIALLYL ISOCYANURATE NIPPON KASEI CHEMICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
US-20120095223-A1 TRIALLYL ISOCYANURATE, TRIALLYL CYANURATE AND PROCESS FOR PRODUCING TRIALLYL ISOCYANURATE NIPPON CHEMICAL COMPANY LIMITED (JP) 2012-04-19 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-20120095225-A1 METHOD OF STORING TRIALLYL ISOCYANURATE TIMCC, TST, TMT1A CYP3A4 3374/4885NPSR1 3396/4885MAPT 1336/4885
US-20120095223-A1 TRIALLYL ISOCYANURATE, TRIALLYL CYANURATE AND PROCESS FOR PRODUCING TRIALLYL ISOCYANURATE CA9, CROCC, CA2 CYP3A4 472/4885NPSR1 1596/4885MAPT 3564/4885

“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.