SCHEMBL5587808

SCHEMBL5587808

CC1=CC(C)=C([N+](=O)[O-])C(=O)C1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.33
HSD17B10 Q99714 2/20 0.33
ACHE P22303 1/20 0.33
ALDH1A1 P00352 5/20 0.32
TDP1 Q9NUW8 3/20 0.32
CYP1A2 P05177 2/20 0.31
MAPT P10636 3/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 3/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
ATM Q13315 2/20 0.30
GPR35 Q9HC97 1/20 0.30
PLIN1 O60240 1/20 0.30
NR1I2 O75469 1/20 0.30
USP2 O75604 1/20 0.30
GSR P00390 1/20 0.30
LMNA P02545 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
SCHEMBL5589493 0.60 ALDH1A1 (0.34) HSD17B10ALDH1A1CYP1A2MAPTSMN1; SMN2
SCHEMBL28087319 0.59 PTPN1 (0.31) MEN1KMT2AATMPOLBCACNA1B
SCHEMBL9118341 0.59 LMNA (0.33) TSHRHSD17B10ACHEALDH1A1TDP1
SCHEMBL10623346 0.57 ALDH1A1 (0.55) TSHRHSD17B10ACHEALDH1A1TDP1
SCHEMBL2741115 0.57 ALDH1A1 (0.40) HSD17B10ALDH1A1TDP1CYP1A2MAPT
SCHEMBL21463 0.57 MAPT (0.41) HSD17B10ALDH1A1TDP1CYP1A2MAPT
SCHEMBL3134949 0.57 MEN1 (0.47) TSHRHSD17B10ALDH1A1TDP1CYP1A2
SCHEMBL28087232 0.57 ALDH1A1 (0.37) TSHRHSD17B10ACHEALDH1A1TDP1
SCHEMBL361072 0.57 TYR (0.39) ALDH1A1CYP1A2MAPTSMN1; SMN2KDM4E
SCHEMBL28087322 0.57 S100A4 (0.33) ACHEALDH1A1CYP1A2MEN1KMT2A

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 TSHR 4680/4885HSD17B10 1640/4885ACHE 3995/4885

“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.