SCHEMBL5337014

SCHEMBL5337014

CCCCCCCCCCC(Cl)C(=O)Cl

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.48
FFAR1 O14842 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
MAPT P10636 1/20 0.47
LCK P06239 1/20 0.47
PPARD Q03181 1/20 0.47
ZDHHC20 Q5W0Z9 1/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.47
CA2 P00918 1/20 0.45
FFAR4 Q5NUL3 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
FDPS P14324 3/20 0.43
CA1 P00915 1/20 0.43

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
SCHEMBL6852786 1.00 GPR84 (0.48) GPR84FFAR1ALDH1A1TSHRMAPT
SCHEMBL5165195 1.00 GPR84 (0.48) GPR84FFAR1ALDH1A1TSHRMAPT
SCHEMBL5981684 1.00 GPR84 (0.48) GPR84FFAR1ALDH1A1TSHRMAPT
SCHEMBL11174743 1.00 GPR84 (0.48) GPR84FFAR1ALDH1A1TSHRMAPT
SCHEMBL11198382 1.00 GPR84 (0.48) GPR84FFAR1ALDH1A1TSHRMAPT
SCHEMBL10343401 1.00 GPR84 (0.48) GPR84FFAR1ALDH1A1TSHRMAPT
SCHEMBL28597286 1.00 GPR84 (0.48) GPR84FFAR1ALDH1A1TSHRMAPT
SCHEMBL9680243 1.00 GPR84 (0.48) GPR84FFAR1ALDH1A1TSHRMAPT
SCHEMBL8868526 0.98 GPR84 (0.45) GPR84FFAR1ALDH1A1TSHRMAPT
SCHEMBL7289166 0.91

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
US-7160966-B2 2,2,6,6 Diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides CIBA SPECIALTY CHEMICALS CORP. (US) 2007-01-09 US disclosed
US-20050143539-A1 2,2,6,6 Diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides NESVADBA PETER (CH) 2005-06-30 US disclosed
US-6891008-B2 2,2,6,6 diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides CIBA SPECIALTY CHEMICALS CORP. (US) 2005-05-10 US disclosed
US-6624306-B2 Stabilizer for addition polymer CIBA SPECIALTY CHEMICALS CORPORATION 2003-09-23 US disclosed
US-20030166939-A1 2,2,6,6 diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides NESVADBA PETER (CH) 2003-09-04 US disclosed
US-20030065184-A1 2,2,6,6 diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides CIBA SPECIALTY CHEMICALS CORP. 2003-04-03 US disclosed
US-4051167-A Alpha halo substituted peroxyesters and their use as polymerization initiators ARGUS CHEMICAL CORPORATION (US) 1977-09-27 US disclosed
US-3936506-A Preparation of unsymmetrical halogen-substituted diacyl peroxides UNION CARBIDE CORPORATION (US) 1976-02-03 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 (3 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-20030166939-A1 2,2,6,6 diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 GPR84 3007/4885FFAR1 389/4885ALDH1A1 310/4885
US-20050143539-A1 2,2,6,6 Diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 GPR84 3007/4885FFAR1 389/4885ALDH1A1 310/4885
US-20030065184-A1 2,2,6,6 diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 GPR84 3007/4885FFAR1 389/4885ALDH1A1 310/4885

“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.