SCHEMBL2170193

SCHEMBL2170193

C=CCc1cccc(C#N)c1CC=C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.43
GABRB2 P47870 2/20 0.43
AKR1B1 P15121 1/20 0.34
KDM4E B2RXH2 3/20 0.33
DRD2 P14416 1/20 0.33
MAPT P10636 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP19A1 P11511 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.31

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
SCHEMBL587579 0.86 GABRA1 (0.35) GABRA1GABRB2KDM4EDRD2KMT2A
SCHEMBL2170315 0.83 KDM4E (0.33) GABRA1GABRB2KDM4EMAPTL3MBTL1
SCHEMBL2162474 0.82 GABRA1 (0.42) GABRA1GABRB2KDM4EMAPTL3MBTL1
SCHEMBL31185609 0.81 GABRA1 (0.43) GABRA1GABRB2AKR1B1KDM4EDRD2
SCHEMBL14765210 0.81 GABRA1 (0.43) GABRA1GABRB2AKR1B1KDM4EMAPT
SCHEMBL8655295 0.81 GABRA1 (0.43) GABRA1GABRB2AKR1B1KDM4EDRD2
SCHEMBL9686700 0.80 GABRA1 (0.42) GABRA1GABRB2AKR1B1KDM4EDRD2
SCHEMBL10390703 0.80 GABRA1 (0.38) GABRA1GABRB2AKR1B1KDM4EDRD2
SCHEMBL8760291 0.80 GABRA1 (0.42) GABRA1GABRB2AKR1B1KDM4EDRD2
SCHEMBL18136 0.80 GABRA1 (0.56) GABRA1GABRB2AKR1B1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3184171-B1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS CHEVRON PHILLIPS CHEMICAL CO LP (US) 2019-03-20 EP disclosed
US-10144752-B2 Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2018-12-04 US disclosed
US-20170305945-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP 2017-10-26 US disclosed
US-9732106-B2 Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2017-08-15 US disclosed
EP-3184171-A1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS Chevron Phillips Chemical Company LP (US) 2017-06-28 EP disclosed
EP-2519532-B1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS CHEVRON PHILLIPS CHEMICAL CO LP (US) 2017-03-08 EP disclosed
US-20160168180-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP 2016-06-16 US disclosed
US-9283555-B2 Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2016-03-15 US disclosed
US-20140221645-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2014-08-07 US disclosed
US-8680003-B2 Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2014-03-25 US disclosed
US-20120309965-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2012-12-06 US disclosed
EP-2519532-A1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS Chevron Phillips Chemical Company LP (US) 2012-11-07 EP disclosed
WO-2011082192-A1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2011-07-07 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 (5 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-10144752-B2 Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins NIT2, NCLN, NPM1 GABRA1 4697/4885GABRB2 4716/4885AKR1B1 4615/4885
US-20120309965-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 GABRA1 4697/4885GABRB2 4716/4885AKR1B1 4615/4885
US-20160168180-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 GABRA1 4697/4885GABRB2 4716/4885AKR1B1 4615/4885
US-20140221645-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 GABRA1 4697/4885GABRB2 4716/4885AKR1B1 4615/4885
US-20170305945-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 GABRA1 4697/4885GABRB2 4716/4885AKR1B1 4615/4885

“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.