SCHEMBL5680815

SCHEMBL5680815

CCCc1cc(C)c(C)c(O)c1OC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.38
PPARA Q07869 8/20 0.38
MAOA P21397 1/20 0.37
PTPN1 P18031 3/20 0.37
PTPN11 Q06124 2/20 0.37
LDHA P00338 1/20 0.37
LDHB P07195 1/20 0.37
PTPN2 P17706 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PRKCI P41743 1/20 0.34
FASN P49327 1/20 0.33
ALOX5 P09917 1/20 0.33
HMGCR P04035 1/20 0.33

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
SCHEMBL5676894 0.88 LDHA (0.40) PPARGPPARAMAOAPTPN1PTPN11
SCHEMBL5678150 0.84 ALOX5 (0.37) PPARGPPARAMAOAPTPN1PTPN11
SCHEMBL5678457 0.82 ALOX5 (0.39) PPARGPPARAPTPN1LDHALDHB
SCHEMBL5676726 0.81 LDHA (0.43) PPARGPPARAMAOAPTPN1PTPN11
SCHEMBL5676132 0.80 LDHA (0.42) PPARGPPARAMAOAPTPN1PTPN11
SCHEMBL5586851 0.79 PPARA (0.41) PPARGPPARAPTPN1PTPN11LDHA
SCHEMBL5680235 0.79 PRKCI (0.41) PPARGPPARAMAOAPTPN1PTPN11
SCHEMBL5676682 0.79 MAOA (0.40) MAOAPTPN1LDHALDHBNPSR1
SCHEMBL5677054 0.79 NPC1 (0.37) PPARGPPARAPTPN1PTPN11LDHA
SCHEMBL5680671 0.79 ALOX5 (0.38) PPARGPPARAMAOAPTPN1ALOX5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20060036049-A1 Soluble late transition metal catalysts for olefin oligomerizations III COMT, CD69, SPR PPARG 3732/4885PPARA 3398/4885MAOA 83/4885

“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.