SCHEMBL2154579

SCHEMBL2154579

CC(C)Oc1ccc(SCCN)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.42
PARP10 Q53GL7 1/20 0.42
ALDH1A3 P47895 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 2/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL10345935 0.88 ALDH1A3 (0.45) HPGDRAB9AALDH1A1NPC1LMNA
SCHEMBL5171995 0.85 ALDH1A3 (0.42) HPGDRAB9AALDH1A1NPC1LMNA
SCHEMBL9855943 0.84 MAOA (0.39) HPGDRAB9AALDH1A1NPC1LMNA
SCHEMBL8425534 0.81 ALDH1A3 (0.40) HPGDRAB9AALDH1A1NPC1LMNA
SCHEMBL7264666 0.80 MAOA (0.54) HPGDRAB9AALDH1A1NPC1LMNA
SCHEMBL5167450 0.79 ALDH1A1 (0.47) RAB9AALDH1A1NPC1LMNATP53
SCHEMBL2153559 0.79 ALDH1A1 (0.53) HPGDRAB9AALDH1A1NPC1TP53
SCHEMBL7050105 0.79 SLC6A4 (0.48) RAB9ACYP1A2CYP2C19GAACYP2D6
SCHEMBL3667550 0.77 ALDH1A1 (0.48) RAB9AALDH1A1NPC1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL3402934 0.77 ALDH1A1 (0.56) HPGDRAB9AALDH1A1NPC1MAPT

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 HPGD 3570/4885RAB9A 1224/4885ALDH1A1 4849/4885
US-20100222577-A1 Diimine Metal Complexes, Methods of Synthesis, and Methods of Using in Oligomerization and Polymerization PICALM, SPR, AP2M1 HPGD 1600/4885RAB9A 4554/4885ALDH1A1 2596/4885
US-20120309965-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 HPGD 3570/4885RAB9A 1224/4885ALDH1A1 4849/4885
US-20160168180-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 HPGD 3570/4885RAB9A 1224/4885ALDH1A1 4849/4885
US-20140221645-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 HPGD 3570/4885RAB9A 1224/4885ALDH1A1 4849/4885
US-20170305945-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 HPGD 3570/4885RAB9A 1224/4885ALDH1A1 4849/4885
US-20070112150-A1 Diimine metal complexes, methods of synthesis, and method of using in oligomerization and polymerization PICALM, SPR, AP2M1 HPGD 1629/4885RAB9A 4519/4885ALDH1A1 2609/4885

“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.