SCHEMBL5589480

SCHEMBL5589480

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.44
GPR35 Q9HC97 4/20 0.40
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
S100A4 P26447 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 2/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
TSHR P16473 1/20 0.33
GALR3 O60755 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL13212272 0.93 IMPDH2 (0.45) IMPDH2GPR35ALDH1A1TDP1S100A4
SCHEMBL25583383 0.86 GPR35 (0.40) IMPDH2GPR35ALDH1A1TDP1S100A4
SCHEMBL13137247 0.85 GPR35 (0.43) IMPDH2GPR35ALDH1A1TDP1S100A4
SCHEMBL9446333 0.83 GPR35 (0.41) IMPDH2GPR35ALDH1A1TDP1S100A4
SCHEMBL1368777 0.81 GPR35 (0.40) IMPDH2GPR35ALDH1A1TDP1S100A4
SCHEMBL68977 0.80 GPR35 (0.43) IMPDH2GPR35ALDH1A1TDP1S100A4
SCHEMBL15957619 0.80 GPR35 (0.43) IMPDH2GPR35ALDH1A1TDP1S100A4
SCHEMBL27851200 0.80 GPR35 (0.43) IMPDH2GPR35ALDH1A1TDP1S100A4
SCHEMBL29674859 0.79 TDP1 (0.48) IMPDH2ALDH1A1TDP1MEN1KMT2A
SCHEMBL6512240 0.79 TDP1 (0.48) IMPDH2ALDH1A1TDP1MEN1KMT2A

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 IMPDH2 4570/4885GPR35 4122/4885ALDH1A1 2181/4885

“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.