SCHEMBL2154407

SCHEMBL2154407

Cc1cc(C)cc(SCCN)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC3 O15379 1/20 0.35
NCOR1 O75376 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
KIF11 P52732 5/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.32
NPC1 O15118 2/20 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
SCHEMBL1569974 0.78 NPC1 (0.52) ALDH1A1MAPTL3MBTL1KIF11LMNA
SCHEMBL17277336 0.78 KIF11 (0.49) ALDH1A1MAPTL3MBTL1KIF11TAAR1
SCHEMBL536751 0.77 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL4809226 0.76 MAOA (0.42) ALDH1A1TSHRMAPTLMNAHTT
SCHEMBL18893276 0.75 THRB (0.45) HTT
SCHEMBL3510024 0.74 ALDH1A1 (0.36) ALDH1A1TSHRMAPTLMNANPC1
SCHEMBL3630597 0.73 HPGD (0.38) ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL3667550 0.73 ALDH1A1 (0.48) ALDH1A1TSHRKIF11NPC1RAB9A
SCHEMBL9334773 0.72 GAA (0.45) ALDH1A1TSHRMAPTLMNAHTT
SCHEMBL4803211 0.72 CA2 (0.45) MAPTLMNA

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-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
US-7977269-B2 Diimine metal complexes, methods of synthesis, and methods of using in oligomerization and polymerization CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2011-07-12 US 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-20100222577-A1 Diimine Metal Complexes, Methods of Synthesis, and Methods of Using in Oligomerization and Polymerization CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2010-09-02 US disclosed
US-7727926-B2 Diimine metal complexes, methods of synthesis, and method of using in oligomerization and polymerization CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2010-06-01 US disclosed
US-20070112150-A1 Diimine metal complexes, methods of synthesis, and method of using in oligomerization and polymerization CHEVRON PHILLIPS CHEMICAL COMPANY LP 2007-05-17 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 (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-10144752-B2 Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins NIT2, NCLN, NPM1 ALDH1A1 4849/4885TSHR 3542/4885MAPT 2631/4885
US-20100222577-A1 Diimine Metal Complexes, Methods of Synthesis, and Methods of Using in Oligomerization and Polymerization PICALM, SPR, AP2M1 ALDH1A1 2596/4885TSHR 3450/4885MAPT 2077/4885
US-20120309965-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 ALDH1A1 4849/4885TSHR 3542/4885MAPT 2631/4885
US-20160168180-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 ALDH1A1 4849/4885TSHR 3542/4885MAPT 2631/4885
US-20140221645-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 ALDH1A1 4849/4885TSHR 3542/4885MAPT 2631/4885
US-20170305945-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 ALDH1A1 4849/4885TSHR 3542/4885MAPT 2631/4885
US-20070112150-A1 Diimine metal complexes, methods of synthesis, and method of using in oligomerization and polymerization PICALM, SPR, AP2M1 ALDH1A1 2609/4885TSHR 3207/4885MAPT 2056/4885

“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.