SCHEMBL5590397

SCHEMBL5590397

CCc1cccc2c1Oc1c(CC)c(O)c(O)c(CC)c1O2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.47
GABRB2 P47870 4/20 0.47
MAOA P21397 1/20 0.36
HTT P42858 1/20 0.35
IAPP P10997 3/20 0.32
KCNH2 Q12809 1/20 0.32
SCN5A Q14524 1/20 0.32
MTNR1A P48039 2/20 0.31
AHR P35869 1/20 0.31
DAO P14920 2/20 0.30
DDO Q99489 1/20 0.30
CYP1A1 P04798 1/20 0.30

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
SCHEMBL52006 0.84
SCHEMBL5589597 0.82 AHR (0.40) GABRA1GABRB2MAOAHTTAHR
SCHEMBL5588673 0.82 AHR (0.53) GABRA1GABRB2AHR
SCHEMBL5589007 0.82 GABRA1 (0.33) GABRA1GABRB2AHR
SCHEMBL5588780 0.81 GABRA1 (0.35) GABRA1GABRB2HTT
SCHEMBL5588626 0.81 GABRA1 (0.36) GABRA1GABRB2IAPPMTNR1ADAO
SCHEMBL5587995 0.78 CYP1A1 (0.40) GABRA1GABRB2IAPPMTNR1ACYP1A1
SCHEMBL5590559 0.77 ALOX5 (0.46) MTNR1ACYP1A1
SCHEMBL5587849 0.76 ALOX5 (0.44) HTTCYP1A1
SCHEMBL5587846 0.76 ALOX5 (0.44) HTTCYP1A1

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 GABRA1 3688/4885GABRB2 3686/4885MAOA 242/4885

“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.