SCHEMBL4428671

SCHEMBL4428671

CCCCCCCCCCCCCCCCCCCCOc1c(-c2ccccc2)cc(N)cc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.52
TSHR P16473 1/20 0.50
PTPN1 P18031 2/20 0.44
TLR8 Q9NR97 2/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
LTA4H P09960 1/20 0.42
PTPN11 Q06124 5/20 0.42
CDC7 O00311 1/20 0.40
PLK4 O00444 1/20 0.40
CHEK1 O14757 1/20 0.40
CHUK O15111 1/20 0.40
PDPK1 O15530 1/20 0.40
DYRK3 O43781 1/20 0.40
ROCK2 O75116 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
NTRK1 P04629 1/20 0.40
PRKCG P05129 1/20 0.40

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
SCHEMBL4431430 0.89 PTGDR2 (0.42) SOAT1TLR8CDC7PLK4CHEK1
SCHEMBL28049521 0.82 ALDH1A1 (0.46) TSHRTLR8THRBMAPK1CYP1A2
SCHEMBL4924153 0.80 TSHR (0.54) SOAT1TSHRTLR8PTPN11MAP4K4
SCHEMBL4936272 0.80 TSHR (0.54) SOAT1TSHRTLR8PTPN11MAP4K4
SCHEMBL27495357 0.78 SOAT1 (0.49) SOAT1PTPN1THRATHRBLTA4H
SCHEMBL7789312 0.78 SOAT1 (0.49) SOAT1TSHRPTPN1THRATHRB
SCHEMBL9621759 0.77 CYP1A2 (0.46) SOAT1PTPN1TLR8LTA4HCDC7
SCHEMBL7926353 0.77 SOAT1 (0.50) SOAT1PTPN1LTA4HPTPN11CYP2C9
SCHEMBL4432989 0.76 FAAH (0.46) SOAT1THRATHRBPTPN11HDAC8
SCHEMBL9068422 0.75 KDM4E (0.49) SOAT1PTPN1THRATHRBPTPN11

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
WO-2006005762-A1 PROCESS FOR PREPARING LINEAR ALPHA OLEFINS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2006-01-19 WO disclosed
US-20060014989-A1 Process for preparring linear alpha olefins SHELL OIL COMPANY 2006-01-19 US 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 SOAT1 4257/4885TSHR 3597/4885PTPN1 228/4885
US-20060014989-A1 Process for preparring linear alpha olefins ITGAL, CCNL2, TRA2B SOAT1 315/4885TSHR 3485/4885PTPN1 3727/4885

“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.