SCHEMBL5676262

SCHEMBL5676262

CCCc1c(CC)cc(OC(=O)O)c(O)c1CC

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.37
LDHB P07195 3/20 0.37
HMGCR P04035 2/20 0.37
PTPN1 P18031 3/20 0.34
PTPN11 Q06124 2/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
LTB4R Q15722 2/20 0.34
PPARD Q03181 1/20 0.34
PTPN2 P17706 1/20 0.33
LTB4R2 Q9NPC1 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
SCHEMBL5676597 0.95 LDHA (0.38) LDHALDHBHMGCRPTPN1PTPN11
SCHEMBL5589026 0.94 LDHA (0.37) LDHALDHBHMGCRPTPN1PTPN11
SCHEMBL5586817 0.90 GABRA1 (0.32) HMGCRPPARGPPARAPPARD
SCHEMBL5677948 0.90 PPARG (0.43) PPARGPPARAPPARD
SCHEMBL5680805 0.90 ALOX5 (0.38) LDHALDHBHMGCRPPARGPPARA
SCHEMBL5589064 0.89 HMGCR (0.41) LDHALDHBHMGCRPTPN1PTPN11
SCHEMBL5920195 0.88 ALOX5 (0.43) LDHALDHBPTPN1PPARGPPARA
SCHEMBL5588358 0.87 PPARG (0.39) PTPN1PPARGPPARAPPARD
SCHEMBL5681236 0.86 HMGCR (0.39) LDHALDHBHMGCRPTPN1PTPN11
SCHEMBL5920075 0.86 LDHA (0.39) LDHALDHBHMGCRPTPN1PTPN11

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 LDHA 3482/4885LDHB 3990/4885HMGCR 3490/4885

“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.