SCHEMBL4432989

SCHEMBL4432989

CCCCCCCCCCCCCCCCCCCCOc1c(-c2ccccc2)cc(NC(C)=O)cc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.46
SOAT1 P35610 3/20 0.46
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
PTPN11 Q06124 4/20 0.44
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL4426326 0.91 NAPRT (0.45) THRBHDAC8KDM4EHPGD
SCHEMBL4428671 0.76 SOAT1 (0.52) SOAT1THRATHRBHDAC8PTPN11
SCHEMBL5989351 0.75 PLA2G4B (0.56) HDAC8PTPN11
SCHEMBL5988269 0.75 PLA2G4B (0.56) HDAC8PTPN11
SCHEMBL5989503 0.75 PLA2G4B (0.56) HDAC8PTPN11
SCHEMBL5989405 0.75 PLA2G4B (0.56) HDAC8PTPN11
SCHEMBL5988701 0.75 HDAC8 (0.51) HDAC8PTPN11
SCHEMBL7733974 0.73 THRA (0.47) SOAT1THRATHRBHDAC8KDM4E
SCHEMBL14544616 0.73 THRB (0.65) FAAHTHRB
SCHEMBL4422197 0.73 NAPRT (0.57) KDM4EHPGD

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589245-B2 Process for preparing linear alpha olefins SHELL OIL COMPANY (US) 2009-09-15 US disclosed
US-7589245-B2 Process for preparing linear alpha olefins SHELL OIL COMPANY (US) 2009-09-15 US disclosed
US-7547783-B2 Transition metal complexes SHELL OIL COMPANY (US) 2009-06-16 US disclosed
US-7547783-B2 Transition metal complexes SHELL OIL COMPANY (US) 2009-06-16 US disclosed
EP-1765748-B1 PROCESS FOR PREPARING LINEAR ALPHA OLEFINS SHELL INT RESEARCH (NL) 2008-09-24 EP disclosed
EP-1740598-B1 TRANSITION METAL COMPLEXES SHELL INT RESEARCH (NL) 2008-03-05 EP disclosed
EP-1765748-A1 PROCESS FOR PREPARING LINEAR ALPHA OLEFINS Shell Internationale Research Maatschappij B.V. (NL) 2007-03-28 EP disclosed
EP-1740598-A1 TRANSITION METAL COMPLEXES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2007-01-10 EP disclosed
EP-1542797-B1 CATALYST SYSTEMS FOR ETHYLENE OLIGOMERISATION TO LINEAR ALPHA OLEFINS SHELL INT RESEARCH (NL) 2006-05-31 EP disclosed
US-7053020-B2 Catalyst systems for ethylene oligomerisation to linear alpha olefins SHELL OIL COMPANY (US) 2006-05-30 US disclosed
US-20060014989-A1 Process for preparring linear alpha olefins SHELL OIL COMPANY 2006-01-19 US disclosed
WO-2006005762-A1 PROCESS FOR PREPARING LINEAR ALPHA OLEFINS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2006-01-19 WO disclosed
US-20050215792-A1 Transition metal complexes SHELL OIL COMPANY 2005-09-29 US disclosed
WO-2005090371-A1 TRANSITION METAL COMPLEXES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2005-09-29 WO disclosed
EP-1542797-A2 CATALYST SYSTEMS FOR ETHYLENE OLIGOMERISATION TO LINEAR ALPHA OLEFINS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2005-06-22 EP disclosed
US-20040116758-A1 Catalyst systems for ethylene oligomerisation to linear alpha olefins SHELL OIL COMPANY 2004-06-17 US disclosed
WO-2004037415-A2 CATALYST SYSTEMS FOR ETHYLENE OLIGOMERISATION TO LINEAR ALPHA OLEFINS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2004-05-06 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 (2 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-20050215792-A1 Transition metal complexes NCLN, PRNP, PARN FAAH 4373/4885SOAT1 4257/4885THRA 4126/4885
US-20060014989-A1 Process for preparring linear alpha olefins ITGAL, CCNL2, TRA2B FAAH 2610/4885SOAT1 315/4885THRA 2111/4885

“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.