SCHEMBL5587281

SCHEMBL5587281

CCCCc1c([N+](=O)[O-])cc(O)c(O)c1CCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.44
HPGD P15428 2/20 0.43
MAPK1 P28482 2/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ESR1 P03372 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALOX15 P16050 2/20 0.42
ALOX12 P18054 2/20 0.42
SNCA P37840 1/20 0.42
MEN1 O00255 1/20 0.42
TTR P02766 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL5589434 0.95 ALOX5 (0.48) GPR35HPGDMAPK1ESR1ALDH1A1
SCHEMBL5590106 0.94 ALOX5 (0.50) GPR35HPGDMAPK1ESR1ALDH1A1
SCHEMBL5590592 0.94 ALOX5 (0.50) GPR35HPGDMAPK1ESR1ALDH1A1
SCHEMBL5586564 0.94 ALOX5 (0.50) GPR35HPGDMAPK1ESR1ALDH1A1
SCHEMBL5590328 0.94 ALOX5 (0.50) GPR35HPGDMAPK1ESR1ALDH1A1
SCHEMBL5586828 0.94 ALOX5 (0.50) GPR35HPGDMAPK1ESR1ALDH1A1
SCHEMBL5589391 0.90 GPR35 (0.44) GPR35HPGDMAPK1ALDH1A1MAPT
SCHEMBL5587187 0.81 HPGD (0.41) GPR35HPGDMAPK1NPC1HTT
SCHEMBL5590498 0.80 GPR35 (0.47) GPR35HPGDMAPK1ALDH1A1MAPT
SCHEMBL1963148 0.79 HPGD (0.42) GPR35HPGDMAPK1NPC1HTT

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 GPR35 4122/4885HPGD 2689/4885MAPK1 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.