SCHEMBL5587083

SCHEMBL5587083

CCCCc1c(O)c(O)c(CCC)c(Br)c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
FFAR1 O14842 1/20 0.38
LDHA P00338 2/20 0.36
LDHB P07195 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
PTPN1 P18031 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
KDM4E B2RXH2 3/20 0.35
PKM P14618 1/20 0.35
DRD4 P21917 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX5 P09917 3/20 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
SCHEMBL5588339 0.95 HPGD (0.45) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL5589392 0.89 HPGD (0.41) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL5587042 0.89 CA1 (0.44) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL5587492 0.84 CA1 (0.44) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL5588088 0.84 LDHA (0.35) HPGDLDHALDHBCA1CA2
SCHEMBL5590728 0.84 CA1 (0.48) HPGDMAPK1LDHALDHBCA1
SCHEMBL5588357 0.83 HPGD (0.46) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL5589845 0.83 CA1 (0.43) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL5590423 0.81 CA1 (0.41) CA1CA2PTPN1CA4CA6
SCHEMBL5589374 0.81 CA1 (0.41) CA1CA2PTPN1CA4CA6

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.