SCHEMBL2163202

SCHEMBL2163202

C=CCc1cc(C#N)cc(CC=C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.38
ALDH1A1 P00352 5/20 0.36
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH2 P05091 1/20 0.36
GAA P10253 1/20 0.36
GABRA1 P14867 1/20 0.36
AKR1B1 P15121 1/20 0.36
HPGD P15428 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
GABRB2 P47870 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PPARA Q07869 1/20 0.34
TNKS O95271 2/20 0.34
PARP1 P09874 1/20 0.34

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
SCHEMBL215399 0.80 XDH (0.50) XDHALDH1A1PPARGPPARDMAPT
SCHEMBL2162055 0.79 GLA (0.46) XDHALDH1A1PPARGPPARDMAPT
SCHEMBL991288 0.77 LOXL2 (0.52) XDHALDH1A1PPARGPPARDMAPT
Bromide SCHEMBL28224574 0.76 LOXL2 (0.50) XDHALDH1A1PPARGPPARDMAPT
SCHEMBL30748375 0.74 VCAM1 (0.35) MEN1KMT2ATTRALBLOXL2
SCHEMBL2161995 0.74 ALDH1A1 (0.35) XDHALDH1A1PPARGPPARDMAPT
SCHEMBL11328107 0.72 SLC6A2 (0.43) XDHALDH1A1PPARGPPARDMAPT
SCHEMBL9747999 0.72 TP53 (0.35) XDHALDH1A1PPARGPPARDMAPT
SCHEMBL2722507 0.72 TRPV4 (0.47) XDHALDH1A1PPARGPPARDMAPT
SCHEMBL20045130 0.72 LOXL2 (0.48) XDHALDH1A1NPSR1CYP3A4SMN1; 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3568403-B1 CHEMICAL COMPOUNDS FOR COATING OF NANOSTRUCTURES SPAGO NANOMEDICAL AB (SE) 2021-04-21 EP disclosed
US-20190352459-A1 Chemical Compounds For Coating Of Nanostructures SPAGO NANOMEDICAL AB (SE) 2019-11-21 US disclosed
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
WO-2018130713-A1 CHEMICAL COMPOUNDS FOR COATING OF NANOSTRUCTURES SPAGO NANOMEDICAL AB (SE) 2018-07-19 WO disclosed
EP-3348560-A1 CHEMICAL COMPOUNDS FOR COATING OF NANOSTRUCTURES Spago Nanomedical AB (SE) 2018-07-18 EP 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 XDH 3818/4885ALDH1A1 4849/4885PPARG 4183/4885
US-20120309965-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 XDH 3818/4885ALDH1A1 4849/4885PPARG 4183/4885
US-20160168180-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 XDH 3818/4885ALDH1A1 4849/4885PPARG 4183/4885
US-20140221645-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 XDH 3818/4885ALDH1A1 4849/4885PPARG 4183/4885
US-20170305945-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 XDH 3818/4885ALDH1A1 4849/4885PPARG 4183/4885

“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.