SCHEMBL5590038

SCHEMBL5590038

CCOc1cc(C(C)(C)C)c(O)c(O)c1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.44
PTGS2 P35354 1/20 0.44
CA2 P00918 3/20 0.41
CA1 P00915 2/20 0.41
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
TYR P14679 1/20 0.39
HSPA5 P11021 2/20 0.39
LMNA P02545 4/20 0.38
ALOX15 P16050 3/20 0.38
CYP3A4 P08684 3/20 0.38
HMGCR P04035 2/20 0.38
TP53 P04637 2/20 0.38
HPGD P15428 1/20 0.38
NR1I2 O75469 1/20 0.38
TSHR P16473 3/20 0.37
GAA P10253 1/20 0.37
RECQL P46063 1/20 0.37
CYP2C9 P11712 4/20 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
SCHEMBL5590048 0.86 PTGS1 (0.47) PTGS1PTGS2CA2CA1ALDH1A1
SCHEMBL5587145 0.85 PTGS1 (0.40) PTGS1PTGS2CA2CA1ALDH1A1
SCHEMBL27965948 0.83 PTGS1 (0.42) PTGS1PTGS2CA2CA1ALDH1A1
SCHEMBL5590041 0.82 VCAM1 (0.40) PTGS1PTGS2LMNAHMGCRNR1I2
SCHEMBL11774996 0.81 GLRA3 (0.56) PTGS1PTGS2CA2CA1ALDH1A1
SCHEMBL5587534 0.79 ALOX15 (0.55) PTGS1PTGS2CA2CA1ALDH1A1
SCHEMBL2945053 0.76 KMT2A (0.50) PTGS1PTGS2ALDH1A1SMN1; SMN2POLB
SCHEMBL2952854 0.76 KMT2A (0.42) PTGS1PTGS2ALDH1A1SMN1; SMN2POLB
SCHEMBL1480769 0.76 CA2 (0.42) PTGS1PTGS2CA2CA1ALDH1A1
SCHEMBL8761675 0.75 CASP3 (0.44) PTGS1PTGS2CA2CA1ALDH1A1

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 2637/4885PTGS2 3242/4885CA2 2455/4885

“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.