SCHEMBL5589544

SCHEMBL5589544

CC(C)Cc1c(O)c(O)c(CC(C)C)c(Br)c1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
PTPN1 P18031 3/20 0.40
CA4 P22748 2/20 0.40
CA6 P23280 2/20 0.40
GABRA1 P14867 3/20 0.39
GABRB2 P47870 2/20 0.39
DRD4 P21917 2/20 0.39
BCL2 P10415 3/20 0.36
MCL1 Q07820 3/20 0.36
MAOA P21397 1/20 0.36
DRD3 P35462 1/20 0.36
BAD Q92934 1/20 0.33
ALOX15 P16050 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 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
SCHEMBL6157348 0.78 GABRA1 (0.42) GABRA1GABRB2BCL2MCL1BAD
SCHEMBL5588820 0.74 GABRA1 (0.39) GABRA1GABRB2BCL2MCL1BAD
SCHEMBL5587071 0.74 GABRA1 (0.39) GABRA1GABRB2BCL2MCL1DRD3
SCHEMBL5590108 0.74 GABRA1 (0.39) GABRA1GABRB2BCL2MCL1BAD
SCHEMBL5587153 0.73 GABRA1 (0.45) CA1CA2PTPN1CA4CA6
SCHEMBL5587062 0.70 GABRA1 (0.37) CA2CA4GABRA1GABRB2BCL2
SCHEMBL5587604 0.68 GABRA1 (0.44) PTPN1GABRA1GABRB2BCL2MCL1
SCHEMBL5588364 0.68 GABRA1 (0.44) CA1CA2GABRA1GABRB2BCL2
SCHEMBL5588612 0.68 GABRA1 (0.44) PTPN1GABRA1GABRB2BCL2MCL1
SCHEMBL5589648 0.67 GABRA1 (0.34) GABRA1GABRB2BCL2MCL1HPGD

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 3 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 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 CA1 3572/4885CA2 2455/4885PTPN1 4679/4885

“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.