SCHEMBL5587600

SCHEMBL5587600

Cc1ccc(OC(=O)O)c(O)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
POLB P06746 2/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TSHR P16473 5/20 0.39
MDM2 Q00987 1/20 0.37
NCEH1 Q6PIU2 1/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
CYP3A4 P08684 1/20 0.36
S100A4 P26447 1/20 0.35
PKM P14618 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL5590088 0.81 KDM4E (0.39) ALDH1A1TDP1POLBKDM4EL3MBTL1
SCHEMBL5586669 0.79 GRIN2D (0.38) ALDH1A1TDP1POLBKDM4ETSHR
SCHEMBL983417 0.79 ALDH1A1 (0.58) ALDH1A1TDP1POLBL3MBTL1TSHR
SCHEMBL983421 0.79 ALDH1A1 (0.58) ALDH1A1TDP1POLBL3MBTL1TSHR
SCHEMBL5587118 0.78 PRKCI (0.37) ALDH1A1TDP1POLBKDM4EL3MBTL1
SCHEMBL9559517 0.77 ALDH1A1 (0.58) ALDH1A1TDP1TSHRCYP3A4S100A4
SCHEMBL29872530 0.77 ALDH1A1 (0.58) ALDH1A1TDP1TSHRCYP3A4S100A4
SCHEMBL5587193 0.76 TDP1 (0.39) ALDH1A1TDP1POLBKDM4EL3MBTL1
SCHEMBL5588933 0.75 NCEH1 (0.42) ALDH1A1TDP1POLBKDM4EL3MBTL1
SCHEMBL5590147 0.75 TRPV1 (0.41) ALDH1A1TDP1TSHR

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 ALDH1A1 2181/4885TDP1 3761/4885POLB 1104/4885

“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.