SCHEMBL5678607

SCHEMBL5678607

CCCCc1c(C)c(CCC)cc(OC(=O)O)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.38
HMGCR P04035 2/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTPN1 P18031 3/20 0.35
PTPN11 Q06124 2/20 0.35
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
PTPN2 P17706 1/20 0.34
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 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
SCHEMBL5920219 0.96 ALOX5 (0.43) ALOX5HMGCRPPARGPPARDPPARA
SCHEMBL5680701 0.96 PPARG (0.40) ALOX5PPARGPPARDPPARANPC1
SCHEMBL5920741 0.94 LDHA (0.39) ALOX5HMGCRPPARGPPARDPPARA
SCHEMBL5678342 0.93 ALOX5 (0.39) ALOX5PPARGPPARDPPARANPC1
SCHEMBL5678455 0.92 PPARG (0.43) ALOX5PPARGPPARDPPARAPTPN1
SCHEMBL5681236 0.91 HMGCR (0.39) ALOX5HMGCRPPARGPPARDPPARA
SCHEMBL5676246 0.89 ALOX5 (0.38) ALOX5HMGCRPPARGPPARDPPARA
SCHEMBL5678309 0.89 ALOX5 (0.44) ALOX5PPARGPPARDPPARAPTPN1
SCHEMBL5920075 0.88 LDHA (0.39) ALOX5HMGCRPPARGPPARDPPARA
SCHEMBL5677643 0.87 PPARG (0.44) ALOX5PPARGPPARDPPARAPTPN1

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 ALOX5 833/4885HMGCR 3490/4885PPARG 3732/4885

“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.