SCHEMBL2230069

SCHEMBL2230069

CC(C)c1cccc(C(C)C)c1/N=C1/C(=O)c2cccc3cccc1c23

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
CES2 O00748 1/20 0.48
BCHE P06276 1/20 0.48
CES1 P23141 1/20 0.48
MCL1 Q07820 1/20 0.48
PABPC1 P11940 2/20 0.47
DNMT1 P26358 2/20 0.47
CYP3A4 P08684 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 4/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 3/20 0.42
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL2230073 1.00 ALDH1A1 (0.48) ALDH1A1CES2BCHECES1MCL1
SCHEMBL987735 0.89 ALDH1A1 (0.40) ALDH1A1CES2BCHECES1MCL1
SCHEMBL5138932 0.89 ALDH1A1 (0.40) ALDH1A1CES2BCHECES1MCL1
SCHEMBL12923294 0.89 ALDH1A1 (0.40) ALDH1A1CES2BCHECES1MCL1
SCHEMBL987736 0.89 ALDH1A1 (0.40) ALDH1A1CES2BCHECES1MCL1
SCHEMBL5587463 0.87 ALDH1A1 (0.39) ALDH1A1CES2BCHECES1MCL1
Hydrochloric Acid SCHEMBL8670038 0.85 ALDH1A1 (0.38) ALDH1A1CES2BCHECES1MCL1
Bromide SCHEMBL8670022 0.85 ALDH1A1 (0.38) ALDH1A1CES2BCHECES1MCL1
SCHEMBL17835939 0.83 ALDH1A1 (0.35) ALDH1A1CES2BCHECES1MCL1
SCHEMBL21563536 0.81 ALDH1A1 (0.34) ALDH1A1CES2BCHECES1MCL1

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904509-B1 DIIMINE METAL COMPLEXES, SYNTHESIS, AND USE IN OLIGOMERIZATION AND POLYMERIZATION CHEVRON PHILLIPS CHEMICAL CO (US) 2012-07-11 EP disclosed
EP-1904509-B1 DIIMINE METAL COMPLEXES, SYNTHESIS, AND USE IN OLIGOMERIZATION AND POLYMERIZATION CHEVRON PHILLIPS CHEMICAL CO (US) 2012-07-11 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
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
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
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-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-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-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-20070043184-A1 Bidentate catalyst for olefin polymerization, methods of forming such and products therefrom FINA TECHNOLOGY, INC. (US) 2007-02-22 US disclosed
US-20070043184-A1 Bidentate catalyst for olefin polymerization, methods of forming such and products therefrom FINA TECHNOLOGY, INC. (US) 2007-02-22 US disclosed
WO-2007013931-A2 DIIMINE METAL COMPLEXES, SYNTHESIS, AND USE IN OLIGOMERIZATION AND POLYMERIZATION CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2007-02-01 WO disclosed
US-20070027334-A1 Diimine metal complexes, methods of synthesis, and method of using in oligomerization and polymerization CHEVRON PHILLIPS CHEMICAL COMPANY LP 2007-02-01 US disclosed
US-20070027334-A1 Diimine metal complexes, methods of synthesis, and method of using in oligomerization and polymerization CHEVRON PHILLIPS CHEMICAL COMPANY LP 2007-02-01 US disclosed
US-20070027334-A1 Diimine metal complexes, methods of synthesis, and method of using in oligomerization and polymerization CHEVRON PHILLIPS CHEMICAL COMPANY LP 2007-02-01 US disclosed
US-20070021608-A1 Diimine metal complexes, methods of synthesis, and methods of using in oligomerization and polymerization CHEVRON PHILLIPS CHEMICAL COMPANY LP 2007-01-25 US disclosed
US-20070021608-A1 Diimine metal complexes, methods of synthesis, and methods of using in oligomerization and polymerization CHEVRON PHILLIPS CHEMICAL COMPANY LP 2007-01-25 US disclosed
US-20070021608-A1 Diimine metal complexes, methods of synthesis, and methods of using in oligomerization and polymerization CHEVRON PHILLIPS CHEMICAL COMPANY LP 2007-01-25 US disclosed
US-7129304-B1 Dimine metal complexes, methods of synthesis, and methods of using in oligomerization and polymerization CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2006-10-31 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 (3 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-20070027334-A1 Diimine metal complexes, methods of synthesis, and method of using in oligomerization and polymerization PICALM, AP1M1, AP2M1 ALDH1A1 2954/4885CES2 4513/4885BCHE 4179/4885
US-20100222577-A1 Diimine Metal Complexes, Methods of Synthesis, and Methods of Using in Oligomerization and Polymerization PICALM, SPR, AP2M1 ALDH1A1 2596/4885CES2 4563/4885BCHE 4782/4885
US-20070021608-A1 Diimine metal complexes, methods of synthesis, and methods of using in oligomerization and polymerization PICALM, AP1M1, AP3M1 ALDH1A1 2700/4885CES2 3966/4885BCHE 3172/4885

“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.