SCHEMBL5589403

SCHEMBL5589403

CCCc1cc(OC(=O)O)c(O)c([N+](=O)[O-])c1CCC

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
KMT2A Q03164 1/20 0.34
COMT P21964 2/20 0.33
PTPN1 P18031 3/20 0.33
PTPN11 Q06124 2/20 0.33
PKM P14618 1/20 0.33
LDHA P00338 1/20 0.33
LDHB P07195 1/20 0.33
ALOX5 P09917 1/20 0.32
ESR1 P03372 1/20 0.32
PTPN2 P17706 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 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
SCHEMBL5587288 0.90 SMN1; SMN2 (0.40) SMN1; SMN2KMT2ACOMTALOX5ESR1
SCHEMBL5589443 0.89 PPARG (0.40) SMN1; SMN2KMT2APTPN1ALOX5ESR1
SCHEMBL5586567 0.88 PPARG (0.39) SMN1; SMN2KMT2APTPN1ALOX5ESR1
SCHEMBL5590112 0.88 PPARG (0.39) SMN1; SMN2KMT2APTPN1ALOX5ESR1
SCHEMBL5590604 0.88 PPARG (0.39) SMN1; SMN2KMT2APTPN1ALOX5ESR1
SCHEMBL5586833 0.88 PPARG (0.39) SMN1; SMN2KMT2APTPN1ALOX5ESR1
SCHEMBL5590335 0.88 PPARG (0.39) SMN1; SMN2KMT2APTPN1ALOX5ESR1
SCHEMBL5590506 0.85 GRIN2D (0.42) SMN1; SMN2KMT2ACOMTPKMESR1
SCHEMBL5589064 0.82 HMGCR (0.41) HMGCRPTPN1PTPN11LDHALDHB
SCHEMBL5587118 0.81 PRKCI (0.37) SMN1; SMN2KMT2AALOX5

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 HMGCR 3000/4885SMN1; SMN2 3076/4885KMT2A 1733/4885

“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.