SCHEMBL5587995

SCHEMBL5587995

CCCCc1cccc2c1Oc1c(CCCC)c(O)c(O)c(CCCC)c1O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.40
ALOX5 P09917 1/20 0.40
PTGS2 P35354 1/20 0.40
MTNR1A P48039 1/20 0.37
TYR P14679 2/20 0.36
BID P55957 3/20 0.35
MCL1 Q07820 3/20 0.35
BCL2L1 Q07817 2/20 0.35
BAK1 Q16611 2/20 0.35
KAT8 Q9H7Z6 2/20 0.35
IAPP P10997 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
EP300 Q09472 1/20 0.35
KAT2A Q92830 1/20 0.35
KAT2B Q92831 1/20 0.35
KAT5 Q92993 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
ELANE P08246 1/20 0.35
CTSG P08311 1/20 0.35

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
SCHEMBL5590559 0.96 ALOX5 (0.46) CYP1A1ALOX5PTGS2MTNR1ATYR
SCHEMBL5587849 0.94 ALOX5 (0.44) CYP1A1ALOX5PTGS2TYRBID
SCHEMBL5587734 0.94 ALOX5 (0.44) CYP1A1ALOX5PTGS2TYRBID
SCHEMBL5587771 0.94 ALOX5 (0.44) CYP1A1ALOX5PTGS2TYRBID
SCHEMBL5587846 0.94 ALOX5 (0.44) CYP1A1ALOX5PTGS2TYRBID
SCHEMBL5588626 0.88 GABRA1 (0.36) CYP1A1ALOX5PTGS2MTNR1AIAPP
SCHEMBL27483096 0.86 MTNR1A (0.41) CYP1A1ALOX5PTGS2MTNR1ABID
SCHEMBL5590432 0.84 CYP1A1 (0.52) CYP1A1ELANEKDM4EALDH1A1HPGD
SCHEMBL5587386 0.84 AHR (0.47) CYP1A1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5590033 0.84 CYP1A1 (0.40) CYP1A1ALOX5PTGS2KDM4EALDH1A1

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 5 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
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

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-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 CYP1A1 1341/4885ALOX5 188/4885PTGS2 3242/4885

“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.