SCHEMBL5586584

SCHEMBL5586584

CCCCCCCCCCCCCc1ccc(OC(=O)O)c(O)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.42
PPARA Q07869 3/20 0.41
PPARG P37231 2/20 0.41
TSHR P16473 1/20 0.41
TYR P14679 1/20 0.40
BID P55957 3/20 0.39
MCL1 Q07820 3/20 0.39
BCL2L1 Q07817 2/20 0.39
BAK1 Q16611 2/20 0.39
KAT8 Q9H7Z6 2/20 0.39
EP300 Q09472 1/20 0.39
KAT2A Q92830 1/20 0.39
KAT2B Q92831 1/20 0.39
KAT5 Q92993 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
ESR1 P03372 1/20 0.38
ALOX5 P09917 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL5590473 1.00 TRPV1 (0.42) TRPV1PPARAPPARGTSHRTYR
SCHEMBL5587060 1.00 TRPV1 (0.42) TRPV1PPARAPPARGTSHRTYR
SCHEMBL5588660 1.00 TRPV1 (0.42) TRPV1PPARAPPARGTSHRTYR
SCHEMBL5587240 1.00 TRPV1 (0.42) TRPV1PPARAPPARGTSHRTYR
SCHEMBL5588972 1.00 TRPV1 (0.42) TRPV1PPARAPPARGTSHRTYR
SCHEMBL5590147 0.99 TRPV1 (0.41) TRPV1PPARAPPARGTSHRTYR
SCHEMBL5587193 0.95 TDP1 (0.39) TRPV1PPARAPPARGTSHRTYR
SCHEMBL5587118 0.90 PRKCI (0.37) TRPV1TSHRALOX5
SCHEMBL5590088 0.85 KDM4E (0.39) TRPV1
SCHEMBL5590112 0.83 PPARG (0.39) TRPV1PPARAPPARGTSHRESR1

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 TRPV1 2540/4885PPARA 2921/4885PPARG 3592/4885

“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.