SCHEMBL5586669

SCHEMBL5586669

Cc1cc(OC(=O)O)c(O)c([N+](=O)[O-])c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PKM P14618 1/20 0.37
MDM2 Q00987 1/20 0.36
MAPT P10636 2/20 0.36
GPR35 Q9HC97 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
GFER P55789 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL5587600 0.79 ALDH1A1 (0.43) PKMMDM2ALDH1A1TDP1POLB
SCHEMBL5590149 0.78 CYP3A4 (0.41) MEN1KMT2APKMMAPTALDH1A1
SCHEMBL11821507 0.76 GPR35 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5590506 0.75 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30692367 0.73 GPR35 (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7788794 0.73 GPR35 (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5587288 0.73 SMN1; SMN2 (0.40) KMT2AMAPTALDH1A1TDP1HPGD
SCHEMBL5589482 0.72 IMPDH2 (0.44) PKMMDM2MAPTGPR35ALDH1A1
SCHEMBL5588406 0.72 CYP3A4 (0.50) MEN1KMT2APKMMAPTALDH1A1
SCHEMBL5590189 0.72 CYP3A4 (0.38) MEN1KMT2AMAPTALDH1A1TDP1

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 GRIN2D 1282/4885GRIN3B 1118/4885GRIN1 510/4885

“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.