SCHEMBL5678474

SCHEMBL5678474

CCCCc1cc(O)c(OC(=O)O)cc1CCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.42
PTGES O14684 2/20 0.41
TOP2A P11388 1/20 0.41
BID P55957 3/20 0.39
MCL1 Q07820 3/20 0.39
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
BCL2L1 Q07817 2/20 0.39
BAK1 Q16611 2/20 0.39
KAT8 Q9H7Z6 2/20 0.39
EP300 Q09472 1/20 0.39
KAT2A Q92830 1/20 0.39
KAT2B Q92831 1/20 0.39
KAT5 Q92993 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
HMGCR P04035 1/20 0.39
ALOX5 P09917 2/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38

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
SCHEMBL5676329 0.97 PTGES (0.45) TYRPTGESTOP2ABIDMCL1
SCHEMBL5193693 0.97 TYR (0.40) TYRPTGESTOP2ABIDMCL1
SCHEMBL5680903 0.97 PTGES (0.45) TYRPTGESTOP2ABIDMCL1
SCHEMBL5680663 0.97 TYR (0.40) TYRPTGESTOP2ABIDMCL1
SCHEMBL5676361 0.97 HMGCR (0.44) TYRPTGESTOP2ABIDMCL1
SCHEMBL5676403 0.95 PTGES (0.46) TYRPTGESTOP2ABIDMCL1
SCHEMBL5676220 0.94 BID (0.47) TYRPTGESTOP2ABIDMCL1
SCHEMBL5677851 0.92 PTGES (0.44) TYRPTGESTOP2ABIDMCL1
SCHEMBL5680890 0.92 PTGES (0.44) TYRPTGESTOP2ABIDMCL1
SCHEMBL5678294 0.92 PTGES (0.44) TYRPTGESTOP2ABIDMCL1

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 TYR 275/4885PTGES 525/4885TOP2A 4237/4885

“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.