SCHEMBL5587386

SCHEMBL5587386

CCCCc1c(O)c(O)c(CCCC)c2c1Oc1cccc(Cl)c1O2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.47
CFTR P13569 7/20 0.43
CYP1A1 P04798 2/20 0.40
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DRD3 P35462 1/20 0.33
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL5588306 0.91 AHR (0.50) AHRCFTRCYP1A1HPGDKDM4E
SCHEMBL5588673 0.85 AHR (0.53) AHRCFTR
SCHEMBL5587995 0.84 CYP1A1 (0.40) CYP1A1HPGDKDM4EALDH1A1HSD17B10
SCHEMBL5590432 0.83 CYP1A1 (0.52) CFTRCYP1A1HPGDKDM4EALDH1A1
SCHEMBL5588156 0.83 AHR (0.45) AHRCFTRCYP1A1HPGDKDM4E
SCHEMBL5590033 0.83 CYP1A1 (0.40) CFTRCYP1A1HPGDKDM4EALDH1A1
SCHEMBL6255121 0.80 AHR (0.55) AHRCFTRCYP1A1ALDH1A1
SCHEMBL5590559 0.80 ALOX5 (0.46) CYP1A1
SCHEMBL5587846 0.79 ALOX5 (0.44) CYP1A1HTT
SCHEMBL5587849 0.79 ALOX5 (0.44) CYP1A1HTT

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 AHR 1434/4885CFTR 4817/4885CYP1A1 1341/4885

“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.