SCHEMBL2161995

SCHEMBL2161995

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
CYP3A4 P08684 3/20 0.35
ALOX15 P16050 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
XDH P47989 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPT P10636 4/20 0.35
CYP1A2 P05177 1/20 0.35
GABRA1 P14867 5/20 0.34
GABRB2 P47870 5/20 0.34
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 3/20 0.34
HPGD P15428 3/20 0.34
KMT2A Q03164 3/20 0.34
CNR2 P34972 3/20 0.34
GAA P10253 2/20 0.34
CNR1 P21554 2/20 0.34
PPARG P37231 2/20 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
SCHEMBL2722507 0.78 TRPV4 (0.47) ALDH1A1CYP3A4ALOX15SMN1; SMN2XDH
SCHEMBL2162652 0.77 GABRA1 (0.48) ALDH1A1ALOX15MAPTGABRA1GABRB2
SCHEMBL7715190 0.76 GABRA1 (0.38) ALDH1A1CYP3A4ALOX15MAPTCYP1A2
SCHEMBL2164753 0.75 XDH (0.44) ALDH1A1CYP3A4ALOX15SMN1; SMN2XDH
SCHEMBL2163202 0.74 XDH (0.38) ALDH1A1CYP3A4ALOX15SMN1; SMN2XDH
SCHEMBL20956961 0.73 XDH (0.40) ALDH1A1CYP3A4ALOX15SMN1; SMN2XDH
SCHEMBL9066208 0.73 XDH (0.40) ALDH1A1CYP3A4ALOX15SMN1; SMN2XDH
SCHEMBL2162708 0.71 XDH (0.39) ALDH1A1CYP3A4ALOX15SMN1; SMN2XDH
SCHEMBL1140679 0.71 XDH (0.39) ALDH1A1CYP3A4ALOX15SMN1; SMN2XDH
SCHEMBL2462713 0.71 ALDH1A1 (0.39) ALDH1A1CYP3A4ALOX15SMN1; SMN2XDH

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 27 patents — showing the first 20. 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
EP-2791091-B1 PREPARATION OF CHROMIUM(III) CARBOXYLATES CHEVRON PHILLIPS CHEMICAL CO LP (US) 2018-09-19 EP disclosed
US-9956548-B2 Preparation of an olefin oligomerization catalyst CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2018-05-01 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-9580453-B2 Preparation of transition metal carboxylates CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2017-02-28 US 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-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
WO-2013089963-A1 PREPARATION OF TRANSITION METAL CARBOXYLATES CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2013-06-20 WO disclosed
US-20130150642-A1 Preparation of an Olefin Oligomerization Catalyst CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2013-06-13 US disclosed
US-20130150593-A1 ANHYDROUS CHROMIUM(III) HALIDE COMPLEX PREPARATION CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2013-06-13 US disclosed
US-20130150605-A1 Preparation of Transition Metal Carboxylates CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2013-06-13 US disclosed
US-8450511-B1 Anhydrous chromium(III) halide complex preparation CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2013-05-28 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
CN-102781949-A Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use for oligomerizing or polymerizing olefins CHEVRON PHILLIPS CHEMICAL CO 2012-11-14 CN 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 (7 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-20130150642-A1 Preparation of an Olefin Oligomerization Catalyst PPOX, COASY, COG8 ALDH1A1 4078/4885CYP3A4 347/4885ALOX15 1604/4885
US-20130150593-A1 ANHYDROUS CHROMIUM(III) HALIDE COMPLEX PREPARATION CHD3, WNT3, CBX3 ALDH1A1 2430/4885CYP3A4 786/4885ALOX15 3972/4885
US-10144752-B2 Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins NIT2, NCLN, NPM1 ALDH1A1 4849/4885CYP3A4 4787/4885ALOX15 2768/4885
US-20120309965-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 ALDH1A1 4849/4885CYP3A4 4787/4885ALOX15 2768/4885
US-20160168180-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 ALDH1A1 4849/4885CYP3A4 4787/4885ALOX15 2768/4885
US-20170305945-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 ALDH1A1 4849/4885CYP3A4 4787/4885ALOX15 2768/4885
US-20130150605-A1 Preparation of Transition Metal Carboxylates ACMSD, AP1M1, CA1 ALDH1A1 1508/4885CYP3A4 2603/4885ALOX15 3004/4885

“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.