SCHEMBL5589355

SCHEMBL5589355

CC(C)(C)c1cc(C(C)(C)C)c(F)c(O)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.52
CA1 P00915 2/20 0.52
SMN1; SMN2 Q16637 5/20 0.50
ALDH1A1 P00352 5/20 0.50
ALOX15 P16050 3/20 0.50
MAPT P10636 2/20 0.50
POLB P06746 1/20 0.50
TYR P14679 1/20 0.50
HPN P05981 1/20 0.50
SIRT5 Q9NXA8 1/20 0.50
GLRA3 O75311 1/20 0.48
GLRB P48167 1/20 0.48
CYP1A2 P05177 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ATP2A2 P16615 1/20 0.44
ATP2A3 Q93084 1/20 0.44

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
SCHEMBL20657093 0.82 CA2 (0.65) CA2CA1SMN1; SMN2ALDH1A1ALOX15
SCHEMBL16512751 0.77 CA2 (0.43) CA2CA1SMN1; SMN2ALDH1A1ALOX15
SCHEMBL2320419 0.75 CA2 (0.64) CA2CA1SMN1; SMN2ALDH1A1ALOX15
SCHEMBL29462687 0.74 CA2 (0.62) CA2CA1SMN1; SMN2ALDH1A1ALOX15
SCHEMBL16383545 0.73 SMN1; SMN2 (0.58) CA2CA1SMN1; SMN2ALDH1A1ALOX15
SCHEMBL5589360 0.73 GLRA3 (0.50) CA2CA1SMN1; SMN2ALDH1A1ALOX15
SCHEMBL18272165 0.73 GABRA1 (0.46) CA2CA1SMN1; SMN2ALDH1A1ALOX15
SCHEMBL5588373 0.73 CA2 (0.48) CA2CA1SMN1; SMN2ALDH1A1ALOX15
SCHEMBL15173818 0.72 CA2 (0.59) CA2CA1SMN1; SMN2ALDH1A1ALOX15
SCHEMBL9244593 0.72 SMN1; SMN2 (0.64) CA2CA1SMN1; SMN2ALDH1A1ALOX15

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 CA2 2455/4885CA1 3572/4885SMN1; SMN2 3076/4885

“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.