SCHEMBL5590048

SCHEMBL5590048

CCCOc1cc(C(C)(C)C)c(O)c(O)c1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.47
CA2 P00918 3/20 0.38
CA1 P00915 2/20 0.38
ALDH1A1 P00352 5/20 0.37
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TYR P14679 1/20 0.37
TP53 P04637 3/20 0.37
GAA P10253 3/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 3/20 0.37
HSPA5 P11021 2/20 0.37
MEN1 O00255 2/20 0.37
ATM Q13315 2/20 0.37
KDM4E B2RXH2 2/20 0.37
USP2 O75604 1/20 0.37
CASP1 P29466 1/20 0.37
HTT P42858 1/20 0.37
CASP7 P55210 1/20 0.37
PTGS2 P35354 2/20 0.36

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
SCHEMBL5587145 0.92 PTGS1 (0.40) PTGS1CA2CA1ALDH1A1POLB
SCHEMBL5590038 0.86 PTGS1 (0.44) PTGS1CA2CA1ALDH1A1POLB
SCHEMBL7730009 0.84 PTGS1 (0.45) PTGS1CA2CA1ALDH1A1POLB
SCHEMBL5590050 0.83 PTGS1 (0.40) PTGS1TP53LMNARECQLGABBR2
SCHEMBL5586766 0.78 NR5A2 (0.35) PTGS1CA2CA1ALDH1A1POLB
SCHEMBL21689793 0.78 PTGS1 (0.41) PTGS1ALDH1A1POLBSMN1; SMN2TP53
SCHEMBL5587534 0.77 ALOX15 (0.55) PTGS1CA2CA1ALDH1A1POLB
SCHEMBL8762616 0.76 PTGS1 (0.44) PTGS1CA2CA1ALDH1A1GAA
SCHEMBL5587149 0.76 VCAM1 (0.39) GAAATMNPSR1
SCHEMBL6232608 0.75 ESR1 (0.39) PTGS1ALDH1A1POLBTP53GAA

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 PTGS1 2637/4885CA2 2455/4885CA1 3572/4885

“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.