SCHEMBL5589969

SCHEMBL5589969

CCCCc1c(O)c(O)c(Br)c(CCCC)c1CCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
PTPN1 P18031 1/20 0.39
DRD4 P21917 2/20 0.38
FFAR1 O14842 1/20 0.37
MAOA P21397 1/20 0.35
DRD3 P35462 1/20 0.35
KDM4E B2RXH2 3/20 0.34
PKM P14618 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
CYP19A1 P11511 1/20 0.33

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
SCHEMBL5587858 0.94 CYP19A1 (0.40) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL5590472 0.92 ALOX5 (0.41) CA1CA2CA4CA6PTPN1
SCHEMBL5589507 0.92 ALOX5 (0.41) CA1CA2CA4CA6PTPN1
SCHEMBL5586843 0.92 ALOX5 (0.41) CA1CA2CA4CA6PTPN1
SCHEMBL5587338 0.92 ALOX5 (0.41) CA1CA2CA4CA6PTPN1
SCHEMBL5587950 0.92 ALOX5 (0.41) CA1CA2CA4CA6PTPN1
SCHEMBL5587492 0.91 CA1 (0.44) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL5587220 0.86 CA1 (0.42) HPGDCA1CA2CA4CA6
SCHEMBL5586620 0.86 HPGD (0.50) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL5587877 0.85 CA1 (0.43) HPGDNPC1MAPK1HTTRAB9A

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 5 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
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO 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 HPGD 2689/4885NPC1 3851/4885MAPK1 2374/4885

“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.