SCHEMBL2859501

SCHEMBL2859501

CCCCCC(OC(=O)O)C(C)OOC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.36
GPR84 Q9NQS5 5/20 0.35
CA1 P00915 2/20 0.35
FFAR1 O14842 1/20 0.35
GRIK1 P39086 2/20 0.34
GRIK2 Q13002 2/20 0.34
MAPT P10636 1/20 0.34
LCK P06239 1/20 0.34
PPARD Q03181 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
FAAH O00519 4/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CA2 P00918 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
SCHEMBL8467856 0.89 CA1 (0.36) ACE2GPR84CA1FAAHCNR1
SCHEMBL29060618 0.88 ACE2 (0.34) ACE2GPR84CA1FFAR1GRIK1
SCHEMBL2770051 0.80 ACE2 (0.37) ACE2GPR84CA1FFAR1MAPT
SCHEMBL28506896 0.80 SMPD1 (0.42) ACE2GPR84FFAR1GRIK1GRIK2
SCHEMBL9842737 0.78 SMPD1 (0.45) ACE2GPR84FFAR1GRIK1GRIK2
SCHEMBL8460650 0.78 SMPD1 (0.45) ACE2GPR84FFAR1GRIK1GRIK2
SCHEMBL20656743 0.78 ACE2 (0.40) ACE2GPR84CA1FFAR1GRIK1
SCHEMBL6370566 0.77 CA2 (0.41) ACE2GPR84CA1FFAR1MAPT
SCHEMBL4938749 0.74 CA2 (0.40) GPR84CA1SLC1A2SLC1A1CA2
SCHEMBL23174850 0.74 CA2 (0.41) ACE2GPR84FFAR1GRIK1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113597449-A Thermoplastic resin composition 株式会社LG化学 2021-11-02 CN disclosed
EP-2142591-A2 EXPANDABLE POLYSTYRENE COMPOSITION Ineos Nova International S.A. (CH) 2010-01-13 EP disclosed
WO-2008132209-A2 EXPANDABLE POLYSTYRENE COMPOSITION INEOS NOVA INTERNATIONAL SA (CH) 2008-11-06 WO disclosed
EP-1988119-A1 Expandable polystyrene composition Nova Innovene International S.A. (CH) 2008-11-05 EP disclosed
US-7145041-B2 Method for producing saturated alcohols, ketones, aldehydes and carboxylic acids DEGUSSA AG (DE) 2006-12-05 US disclosed
US-6852893-B2 Method for oxidizing hydrocarbons CREAVIS GESELLSCHAFT FUER TECHNOLOGIE AND INNOVATION MBH (DE) 2005-02-08 US disclosed
US-20040249197-A1 Method for producing saturated alcohols, ketones, aldehydes and carboxylic acids DEGUSSA AG (DE) 2004-12-09 US disclosed
US-20030176733-A1 Method for oxidizing hydrocarbons CREAVIS GESELLSCHAFT FUER TECHNOLOGIE UND INNOVATION MBH (DE) 2003-09-18 US 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-20030176733-A1 Method for oxidizing hydrocarbons CBR1, CBR3, SCO2 ACE2 3827/4885GPR84 2020/4885CA1 859/4885
US-20040249197-A1 Method for producing saturated alcohols, ketones, aldehydes and carboxylic acids CBR1, CYP2E1, AOX1 ACE2 4620/4885GPR84 928/4885CA1 503/4885

“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.