SCHEMBL5586659

SCHEMBL5586659

Cc1c([N+](=O)[O-])cc(O)c(O)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.55
ALDH1A1 P00352 2/20 0.52
TTR P02766 2/20 0.52
CYP1A2 P05177 2/20 0.52
ALOX15 P16050 2/20 0.52
ALOX12 P18054 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.52
RECQL P46063 1/20 0.52
PMP22 Q01453 1/20 0.52
KMT2A Q03164 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
XDH P47989 1/20 0.47
SNCA P37840 1/20 0.47

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
SCHEMBL21143325 0.84 GPR35 (0.52) GPR35ALDH1A1TTRCYP1A2ALOX15
SCHEMBL18874784 0.83 GPR35 (0.55) GPR35ALDH1A1TTRCYP1A2ALOX15
SCHEMBL3608493 0.83 GPR35 (0.58) GPR35ALDH1A1TTRCYP1A2ALOX15
SCHEMBL20675826 0.80 ALDH1A1 (0.49) GPR35ALDH1A1CYP1A2ALOX15ALOX12
SCHEMBL2056736 0.79 GPR35 (0.50) GPR35ALDH1A1TTRCYP1A2ALOX15
SCHEMBL8650331 0.78 GPR35 (0.48) GPR35ALDH1A1TTRCYP1A2ALOX15
SCHEMBL2925761 0.77 ERN1 (0.56) GPR35ALDH1A1ALOX15KDM4EMAPT
SCHEMBL25786786 0.77 CYP1A2 (0.56) GPR35ALDH1A1CYP1A2ALOX15KDM4E
SCHEMBL29262876 0.77 GPR35 (0.63) GPR35ALDH1A1TTRCYP1A2ALOX15
SCHEMBL3345371 0.76 GPR35 (0.47) GPR35ALDH1A1TTRCYP1A2ALOX15

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 4 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
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 4122/4885ALDH1A1 2181/4885TTR 4090/4885

“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.