SCHEMBL5590189

SCHEMBL5590189

CCc1c(C)c(C)cc(OC(=O)O)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 1/20 0.38
GFER P55789 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FASN P49327 1/20 0.36
LDHA P00338 2/20 0.33
LDHB P07195 2/20 0.33
PTGES O14684 1/20 0.33
PTPN1 P18031 1/20 0.33
PLA2G2A P14555 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
IDO1 P14902 1/20 0.32
SLC37A4 O43826 1/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL5677861 0.90 LDHA (0.33) CYP3A4MEN1MAPTKMT2ATDP1
SCHEMBL5588181 0.89 LDHA (0.43) CYP3A4MEN1MAPTKMT2ATDP1
SCHEMBL5677807 0.88 CYP3A4 (0.34) CYP3A4MEN1MAPTKMT2ATDP1
SCHEMBL5586646 0.87 ALOX5 (0.40) CYP3A4MEN1MAPTKMT2ATDP1
SCHEMBL5678435 0.86 ALOX5 (0.46) PTPN1PLA2G2AESR1ALOX5
SCHEMBL5680649 0.84 CYP3A4 (0.35) CYP3A4MEN1MAPTKMT2ATDP1
SCHEMBL5677237 0.83 NPC1 (0.40) HPGDNPSR1LDHALDHBPTPN1
SCHEMBL5590149 0.82 CYP3A4 (0.41) CYP3A4MEN1MAPTKMT2ATDP1
SCHEMBL5681691 0.82 ALOX5 (0.44) PTPN1ESR1ALOX5
SCHEMBL5589711 0.81 FASN (0.32) CYP3A4POLBFASNPOLA1ANTXR2

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 8 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
US-20060036049-A1 Soluble late transition metal catalysts for olefin oligomerizations III ZHAO BAIYI 2006-02-16 US disclosed
EP-1620447-A1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III Exxonmobil Chemical Patents Inc. (US) 2006-02-01 EP 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
WO-2003102006-A1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-12-11 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 (2 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-20060036049-A1 Soluble late transition metal catalysts for olefin oligomerizations III COMT, CD69, SPR CYP3A4 1091/4885MEN1 3718/4885MAPT 1188/4885
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 CYP3A4 1449/4885MEN1 3377/4885MAPT 585/4885

“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.