SCHEMBL12445130

SCHEMBL12445130

Cc1ccc(/N=C2/C(=O)c3cccc4cccc2c34)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
CES2 O00748 1/20 0.46
BCHE P06276 1/20 0.46
CES1 P23141 1/20 0.46
MCL1 Q07820 1/20 0.46
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
RAB9A P51151 1/20 0.42
PABPC1 P11940 2/20 0.41
DNMT1 P26358 2/20 0.41
CYP3A4 P08684 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HPGD P15428 2/20 0.38

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
SCHEMBL2230200 0.82 MEN1 (0.51) ALDH1A1CES2BCHECES1MCL1
SCHEMBL2230195 0.82 MEN1 (0.51) ALDH1A1CES2BCHECES1MCL1
SCHEMBL2231358 0.76 ALDH1A1 (0.53) ALDH1A1CES2BCHECES1MCL1
SCHEMBL2231354 0.76 ALDH1A1 (0.53) ALDH1A1CES2BCHECES1MCL1
SCHEMBL3804212 0.72 ALDH1A1 (0.44) ALDH1A1CES2BCHECES1MCL1
SCHEMBL3804209 0.72 ALDH1A1 (0.44) ALDH1A1CES2BCHECES1MCL1
SCHEMBL14367153 0.72 ALDH1A1 (0.47) ALDH1A1CES2BCHECES1MCL1
SCHEMBL21563548 0.71 LMNA (0.33) ALDH1A1LMNAGAAMEN1KMT2A
SCHEMBL14393077 0.70 ALDH1A1 (0.64) ALDH1A1CES2BCHECES1MCL1
SCHEMBL14367152 0.70 ALDH1A1 (0.44) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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 (2 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-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-20070112150-A1 Diimine metal complexes, methods of synthesis, and method of using in oligomerization and polymerization PICALM, SPR, AP2M1 ALDH1A1 2609/4885CES2 4622/4885BCHE 4786/4885

“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.