SCHEMBL5587463

SCHEMBL5587463

CC(C)c1cccc(C(C)C)c1N=C1C(=Nc2c(C(C)C)cccc2C(C)C)c2cccc3cccc1c23.[Ni]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
TSHR P16473 3/20 0.39
HSD17B10 Q99714 3/20 0.39
MAPK1 P28482 2/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 3/20 0.36
CYP3A4 P08684 2/20 0.36
HIF1A Q16665 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
FAAH O00519 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
GABRB1 P18505 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36

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
SCHEMBL12923294 0.98 ALDH1A1 (0.40) ALDH1A1TSHRHSD17B10MAPK1ATM
SCHEMBL987736 0.98 ALDH1A1 (0.40) ALDH1A1TSHRHSD17B10MAPK1ATM
SCHEMBL5138932 0.98 ALDH1A1 (0.40) ALDH1A1TSHRHSD17B10MAPK1ATM
SCHEMBL987735 0.98 ALDH1A1 (0.40) ALDH1A1TSHRHSD17B10MAPK1ATM
Hydrochloric Acid SCHEMBL8670038 0.95 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10MAPK1ATM
Bromide SCHEMBL8670022 0.95 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10MAPK1ATM
SCHEMBL5589365 0.92 POLB (0.39) ALDH1A1TSHRHSD17B10MAPK1ATM
SCHEMBL17835939 0.92 ALDH1A1 (0.35) ALDH1A1TSHRHSD17B10MAPK1ATM
SCHEMBL19625542 0.90 POLB (0.37) ALDH1A1TSHRHSD17B10MAPK1ATM
SCHEMBL5589772 0.90 POLB (0.40) ALDH1A1TSHRHSD17B10MAPK1ATM

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 US claimed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP claimed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 US claimed
US-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 US disclosed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP disclosed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 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 (1 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-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 ALDH1A1 2181/4885TSHR 4680/4885HSD17B10 1640/4885

“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.