SCHEMBL2605173

SCHEMBL2605173

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.64
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 1/20 0.42
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADORA2B P29275 3/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 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
ADORA2A P29274 2/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
USP2 O75604 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HPGD P15428 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
SCHEMBL2606640 0.96 CYP3A4 (0.58) CYP3A4NPSR1MAPTKMT2ASMN1; SMN2
Acetone SCHEMBL11800599 0.83 CYP3A4 (0.76) CYP3A4NPSR1MAPTKMT2ASMN1; SMN2
SCHEMBL12580004 0.80 CYP3A4 (0.64) CYP3A4NPSR1MAPTKMT2ASMN1; SMN2
SCHEMBL12580005 0.80 CYP3A4 (0.64) CYP3A4NPSR1MAPTKMT2ASMN1; SMN2
SCHEMBL28662 0.80 CYP3A4 (1.00) CYP3A4NPSR1MAPTKMT2ASMN1; SMN2
SCHEMBL29860820 0.76 CYP3A4 (0.57) CYP3A4NPSR1MAPTKMT2ASMN1; SMN2
SCHEMBL19722545 0.74 CYP3A4 (0.55) CYP3A4NPSR1MAPTKMT2ASMN1; SMN2
SCHEMBL10798303 0.74 ALDH1A1 (0.59) CYP3A4NPSR1MAPTKMT2ASMN1; SMN2
SCHEMBL24669059 0.74 CYP3A4 (0.76) CYP3A4NPSR1MAPTKMT2ASMN1; SMN2
SCHEMBL9246057 0.74 CYP3A4 (0.76) CYP3A4NPSR1MAPTKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174764-A1 RUBBER COMPOSITION, FLUORINE-CONTAINING ELASTOMER, AND SEAL MATERIAL NICHIAS CORPORATION (JP) 2023-06-08 US disclosed
US-10008302-B2 Radiation crosslinked fluoropolymer compositions containing low level of extractable fluorides DAIKIN AMERICA, INC. (US) 2018-06-26 US disclosed
US-9728298-B2 Radiation crosslinked fluoropolymer compositions containing low level of extractable fluorides DAIKIN AMERICA, INC. (US) 2017-08-08 US disclosed
US-20160379734-A1 Radiation Crosslinked Fluoropolymer Compositions Containing Low Level of Extractable Fluorides DAIKIN AMERICA, INC. 2016-12-29 US disclosed
US-20160160085-A1 BONDING COMPOSITION AND COMPONENT THEREOF, AND METHOD OF USING THE SAME 3M INNOVATIVE PROPERTIES COMPANY 2016-06-09 US disclosed
US-20160032039-A1 METHOD FOR PRODUCING CROSSLINKED FLUOROELASTOMER NICHIAS CORPORATION (JP) 2016-02-04 US disclosed
US-8772382-B2 Heavy metal-free stabilizer composition for halogenated polymers CHEMSON POLYMER-ADDITIVE AG (AT) 2014-07-08 US disclosed
US-8691984-B2 Method of storing triallyl isocyanurate NIPPON KASEI CHEMICAL COMPANY LIMITED (JP) 2014-04-08 US disclosed
US-8633266-B2 Tin-free stabilizer composition Akdeniz Kimya San. ve Tic. A.S. (TR) 2014-01-21 US disclosed
US-8431697-B2 Triallyl isocyanurate, triallyl cyanurate and process for producing triallyl isocyanurate NIPPON KASEI CHEMICAL COMPANY LIMITED (JP) 2013-04-30 US disclosed
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.