SCHEMBL5587858

SCHEMBL5587858

CCCCCc1c(O)c(O)c(Br)c(CCCCC)c1CCCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.40
ALOX5 P09917 5/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
PTPN1 P18031 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
TYR P14679 1/20 0.38
DRD4 P21917 2/20 0.37
PTGS2 P35354 4/20 0.36
CYP3A4 P08684 2/20 0.36
ESR1 P03372 2/20 0.35
ADRA2A P08913 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
TACR2 P21452 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL5586843 0.98 ALOX5 (0.41) CYP19A1ALOX5CA1CA2PTPN1
SCHEMBL5590472 0.98 ALOX5 (0.41) CYP19A1ALOX5CA1CA2PTPN1
SCHEMBL5589507 0.98 ALOX5 (0.41) CYP19A1ALOX5CA1CA2PTPN1
SCHEMBL5587950 0.98 ALOX5 (0.41) CYP19A1ALOX5CA1CA2PTPN1
SCHEMBL5587338 0.98 ALOX5 (0.41) CYP19A1ALOX5CA1CA2PTPN1
SCHEMBL5589969 0.94 HPGD (0.41) CYP19A1ALOX5CA1CA2PTPN1
SCHEMBL5587877 0.92 CA1 (0.43) CYP19A1ALOX5CA1CA2PTPN1
SCHEMBL5588496 0.90 CA1 (0.41) ALOX5CA1CA2PTPN1CA4
SCHEMBL5589883 0.90 CA1 (0.41) ALOX5CA1CA2PTPN1CA4
SCHEMBL5590686 0.90 CA1 (0.41) ALOX5CA1CA2PTPN1CA4

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 CYP19A1 1837/4885ALOX5 188/4885CA1 3572/4885

“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.