SCHEMBL5589482

SCHEMBL5589482

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.34
PKM P14618 1/20 0.33
GPR35 Q9HC97 1/20 0.32
MAPT P10636 2/20 0.31
MDM2 Q00987 1/20 0.31
TSHR P16473 2/20 0.30
TPMT P51580 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
KDM4E B2RXH2 1/20 0.30
S100A4 P26447 1/20 0.30

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
SCHEMBL5588225 0.77 IMPDH2 (0.36) IMPDH2
SCHEMBL13212272 0.75 IMPDH2 (0.45) IMPDH2SMN1; SMN2GPR35TSHRALDH1A1
SCHEMBL5589480 0.73 IMPDH2 (0.44) IMPDH2SMN1; SMN2GPR35TSHRALDH1A1
SCHEMBL5586669 0.72 GRIN2D (0.38) IMPDH2SMN1; SMN2PKMGPR35MAPT
SCHEMBL5588912 0.72 IMPDH2 (0.34) IMPDH2SMN1; SMN2PKM
SCHEMBL5587195 0.71 KMT2A (0.36) IMPDH2SMN1; SMN2
SCHEMBL5587433 0.70 ESR1 (0.35) IMPDH2SMN1; SMN2
SCHEMBL5588252 0.70 SMN1; SMN2 (0.33) IMPDH2SMN1; SMN2PKM
SCHEMBL5589481 0.70 IMPDH2 (0.48) IMPDH2SMN1; SMN2PKMMAPTTSHR
SCHEMBL5586711 0.69 ESR1 (0.37) IMPDH2SMN1; SMN2

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 4570/4885SMN1; SMN2 3076/4885PKM 244/4885

“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.