SCHEMBL2153449

SCHEMBL2153449

Cc1cc(C#N)cc(C)c1-c1c(C)cc(C#N)cc1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.44
ALB P02768 2/20 0.44
CYP2A6 P11509 2/20 0.43
ALDH1A1 P00352 2/20 0.43
EGLN2 Q96KS0 2/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
VCAM1 P19320 1/20 0.36
TSHR P16473 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
AR P10275 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
HAVCR2 Q8TDQ0 1/20 0.32

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
SCHEMBL17527146 0.92 ALDH1A1 (0.44) TTRALBCYP2A6ALDH1A1EGLN2
SCHEMBL15602820 0.88 TTR (0.46) TTRALBCYP2A6ALDH1A1EGLN2
SCHEMBL6954472 0.82 TTR (0.44) TTRALBCYP2A6ALDH1A1EGLN2
SCHEMBL25767791 0.81 ALDH1A1 (0.39) TTRALBCYP2A6ALDH1A1EGLN2
SCHEMBL2153883 0.80 KDM4E (0.45) TTRALBCYP2A6ALDH1A1MEN1
SCHEMBL28155307 0.79 TSHR (0.46) ALDH1A1EGLN2MEN1KMT2ATSHR
SCHEMBL12114004 0.79 CASP3 (0.40) TTRALBCYP2A6ALDH1A1EGLN2
SCHEMBL25370179 0.78 CYP2A6 (0.46) TTRALBCYP2A6ALDH1A1EGLN2
SCHEMBL2421383 0.78 TTR (0.46) TTRALBCYP2A6ALDH1A1EGLN2
SCHEMBL12158706 0.78 TTR (0.41) TTRALBCYP2A6ALDH1A1EGLN2

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 16 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
US-4582925-A Tetramethylbiphenylcarboxylic acids and derivatives thereof STANDARD OIL COMPANY (INDIANA) (US) 1986-04-15 US disclosed
US-4288588-A OXIDATION OF POLYMESITYLS; USEFUL IN POLYAMIDES AND PLASTICIZERS FOR PVC STANDARD OIL COMPANY (INDIANA) (US) 1981-09-08 US disclosed
US-4154922-A PLASTICIZERS FOR PVC STANDARD OIL COMPANY (INDIANA) (US) 1979-05-15 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 (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 TTR 2928/4885ALB 1522/4885CYP2A6 4835/4885
US-20120309965-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 TTR 2928/4885ALB 1522/4885CYP2A6 4835/4885
US-20160168180-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 TTR 2928/4885ALB 1522/4885CYP2A6 4835/4885
US-20140221645-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 TTR 2928/4885ALB 1522/4885CYP2A6 4835/4885
US-20170305945-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 TTR 2928/4885ALB 1522/4885CYP2A6 4835/4885

“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.