SCHEMBL5587906

SCHEMBL5587906

CCCCCCc1c(O)c(O)c(CCCCCC)c2c1Oc1ccccc1O2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.54
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 3/20 0.44
HPGD P15428 2/20 0.44
TYR P14679 1/20 0.42
GAA P10253 1/20 0.42
LIPG Q9Y5X9 1/20 0.41
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
LMNA P02545 1/20 0.41
SHBG P04278 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
HSPD1 P10809 1/20 0.41

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
SCHEMBL5590163 1.00 CYP1A1 (0.54) CYP1A1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL5587035 1.00 CYP1A1 (0.54) CYP1A1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL5589870 1.00 CYP1A1 (0.54) CYP1A1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL5588960 1.00 CYP1A1 (0.54) CYP1A1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL5588810 0.98 CYP1A1 (0.52) CYP1A1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL5590432 0.93 CYP1A1 (0.52) CYP1A1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL5587181 0.86 CYP1A1 (0.41) CYP1A1KDM4EALDH1A1HPGDGAA
SCHEMBL5587528 0.85 ALOX5 (0.47) CYP1A1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL5590410 0.85 ALOX5 (0.47) CYP1A1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL5587849 0.85 ALOX5 (0.44) CYP1A1TYRLIPGTP53CYP3A4

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 1341/4885KDM4E 1868/4885ALDH1A1 2181/4885

“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.