SCHEMBL2804615

SCHEMBL2804615

CCCCCCCCC1=CCC=C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.36
LIPG Q9Y5X9 1/20 0.36
BACE1 P56817 1/20 0.36
PTGS2 P35354 3/20 0.35
ESR1 P03372 2/20 0.35
ADRA2A P08913 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
TACR2 P21452 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KCNH2 Q12809 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SHBG P04278 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
HSPD1 P10809 1/20 0.35
ADRB3 P13945 1/20 0.35

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
SCHEMBL11421607 1.00 ACHE (0.36) ACHELIPGBACE1PTGS2ESR1
SCHEMBL8168465 0.98 PTGS2 (0.33) ACHELIPGBACE1PTGS2ESR1
Iodide SCHEMBL28429674 0.89 NPC1 (0.32) CHRM2CHRM5CHRM1CHRM3
SCHEMBL526149 0.82
SCHEMBL23920955 0.82 ACHE (0.35) ACHELIPGBACE1PTGS2ESR1
SCHEMBL22268975 0.82 ACHE (0.35) ACHELIPGBACE1PTGS2ESR1
SCHEMBL9574439 0.80 PTGS2 (0.37) ACHELIPGBACE1PTGS2ESR1
SCHEMBL10589751 0.80 PTGS2 (0.37) ACHELIPGBACE1PTGS2ESR1
SCHEMBL30727634 0.79 CYP19A1 (0.36) ACHELIPGBACE1PTGS2ESR1
SCHEMBL7719791 0.78 PTGS2 (0.35) ACHELIPGBACE1PTGS2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292421-A1 BRIDGED METALLOCENE COMPOUND, OLEFIN POLYMERIZATION CATALYST CONTAINING THE SAME, AND ETHYLENE POLYMER OBTAINED WITH THE CATALYST MITSUI CHEMICALS, INC. 2010-11-18 US disclosed
EP-2218725-A1 BRIDGED METALLOCENE COMPOUND, OLEFIN POLYMERIZATION CATALYST USING THE COMPOUND AND ETHYLENE POLYMER OBTAINED BY USING THE CATALYST Mitsui Chemicals, Inc. (JP) 2010-08-18 EP disclosed
EP-0963382-B2 POLYMERIZATION CATALYST SYSTEMS COMPRISING HETEROCYCLIC FUSED CYCLOPENTADIENIDE LIGANDS EXXONMOBIL CHEM PATENTS INC (US) 2008-07-02 EP disclosed
US-6451938-B1 CATALYTIC COMPLEX FORMED BY ACTIVATING TRANSITION METAL COMPOUNDS COMPRISING CYCLOPENTADIENIDE ANIONS WHICH BEAR FUSED HETEROCYCLIC RINGS EXXON MOBIL CHEMICAL PATENTS INC. 2002-09-17 US disclosed
EP-0963382-B1 POLYMERIZATION CATALYST SYSTEMS COMPRISING HETEROCYCLIC FUSED CYCLOPENTADIENIDE LIGANDS EXXONMOBIL CHEM PATENTS INC (US) 2001-11-14 EP disclosed
EP-0963382-A1 POLYMERIZATION CATALYST SYSTEMS COMPRISING HETEROCYCLIC FUSED CYCLOPENTADIENIDE LIGANDS EXXON CHEMICAL PATENTS INC. (US) 1999-12-15 EP disclosed
WO-1998037106-A1 POLYMERIZATION CATALYST SYSTEMS COMPRISING HETEROCYCLIC FUSED CYCLOPENTADIENIDE LIGANDS EXXON CHEMICAL PATENTS INC. (US) 1998-08-27 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-20100292421-A1 BRIDGED METALLOCENE COMPOUND, OLEFIN POLYMERIZATION CATALYST CONTAINING THE SAME, AND ETHYLENE POLYMER OBTAINED WITH THE CATALYST CAD, ENDOD1, CCT7 ACHE 2662/4885LIPG 3339/4885BACE1 788/4885

“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.