SCHEMBL5590328

SCHEMBL5590328

CCCCCCCCCCc1c([N+](=O)[O-])cc(O)c(O)c1CCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.50
ESR1 P03372 1/20 0.47
GPR35 Q9HC97 2/20 0.42
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SNCA P37840 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
TTR P02766 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
PMP22 Q01453 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5590106 1.00 ALOX5 (0.50) ALOX5ESR1GPR35ALDH1A1MAPT
SCHEMBL5586564 1.00 ALOX5 (0.50) ALOX5ESR1GPR35ALDH1A1MAPT
SCHEMBL5586828 1.00 ALOX5 (0.50) ALOX5ESR1GPR35ALDH1A1MAPT
SCHEMBL5590592 1.00 ALOX5 (0.50) ALOX5ESR1GPR35ALDH1A1MAPT
SCHEMBL5589434 0.98 ALOX5 (0.48) ALOX5ESR1GPR35ALDH1A1MAPT
SCHEMBL5587281 0.94 GPR35 (0.44) ALOX5ESR1GPR35ALDH1A1MAPT
SCHEMBL5589391 0.87 GPR35 (0.44) GPR35ALDH1A1MAPTTDP1SNCA
SCHEMBL5588658 0.82 TYR (0.46) ALOX5ESR1TYR
SCHEMBL5587053 0.82 TYR (0.46) ALOX5ESR1TYR
SCHEMBL5587233 0.82 TYR (0.46) ALOX5ESR1TYR

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 ALOX5 188/4885ESR1 1108/4885GPR35 4122/4885

“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.