SCHEMBL5587145

SCHEMBL5587145

CCCCOc1cc(C(C)(C)C)c(O)c(O)c1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.40
ESR1 P03372 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CA2 P00918 3/20 0.37
CA1 P00915 2/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
NR5A1 Q13285 2/20 0.37
NR5A2 O00482 1/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
TYR P14679 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSPA5 P11021 2/20 0.36
PTGS2 P35354 1/20 0.35
LMNA P02545 3/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 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
SCHEMBL5590048 0.92 PTGS1 (0.47) PTGS1CYP1A2CYP2C9CYP2C19CA2
SCHEMBL5586766 0.86 NR5A2 (0.35) PTGS1ESR1CYP1A2CYP2C9CYP2C19
SCHEMBL5590038 0.85 PTGS1 (0.44) PTGS1CYP1A2CYP2C9CYP2C19CA2
SCHEMBL5587149 0.83 VCAM1 (0.39) THRATHRBNR5A1NR5A2GAA
SCHEMBL6883923 0.79 THRA (0.42) PTGS1ESR1THRATHRBNR5A1
SCHEMBL6232233 0.79 THRA (0.43) ESR1CYP1A2CYP2C9CYP2C19THRA
SCHEMBL8763395 0.77 CNR1 (0.42) PTGS1ESR1CYP1A2CYP2C9CYP2C19
SCHEMBL7730009 0.76 PTGS1 (0.45) PTGS1CYP1A2CYP2C9CYP2C19CA2
SCHEMBL10990333 0.76 CA2 (0.55) PTGS1CYP1A2CYP2C9CYP2C19CA2
SCHEMBL5590050 0.76 PTGS1 (0.40) PTGS1LMNATP53RECQL

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 2637/4885ESR1 1108/4885CYP1A2 2390/4885

“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.