SCHEMBL8103430

SCHEMBL8103430

O=C(O)COCCc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 9/20 0.56
FFAR1 O14842 1/20 0.49
HRH1 P35367 3/20 0.44
SLC6A2 P23975 1/20 0.44
HRH2 P25021 1/20 0.44
HTR2A P28223 1/20 0.44
SLC6A4 P31645 1/20 0.44
DRD3 P35462 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TEK Q02763 1/20 0.44
KCNH2 Q12809 1/20 0.44
USP2 O75604 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
PTGIR P43119 1/20 0.43
DAO P14920 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
SCHEMBL8132571 0.93 FFAR4 (0.52) FFAR4FFAR1HRH1SLC6A2HRH2
SCHEMBL13886140 0.89 FFAR4 (0.51) FFAR4FFAR1HRH1SLC6A2HRH2
SCHEMBL3584933 0.84 FFAR1 (0.51) FFAR4FFAR1PPARGPPARA
SCHEMBL3248092 0.82 FFAR4 (0.55) FFAR4FFAR1SLC6A3TDP1
SCHEMBL8132575 0.82 CYP1A2 (0.44) FFAR4FFAR1TDP1PPARGPPARA
SCHEMBL320664 0.81 FFAR4 (0.56) FFAR4FFAR1
SCHEMBL4668893 0.81 FFAR4 (0.49) FFAR4FFAR1
SCHEMBL16542340 0.81 FFAR4 (0.41) FFAR4FFAR1HRH1SLC6A2SLC6A4
SCHEMBL8088940 0.81 FFAR4 (0.56) FFAR4FFAR1KCNH2TDP1
SCHEMBL3884363 0.81 FFAR4 (0.54) FFAR4FFAR1SLC6A3TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007372-B1 DIALKYL ETHER DELIVERY AGENTS EMISPHERE TECH INC (US) 2015-03-04 EP disclosed
US-20090092580-A1 DIALKYL ETHER DELIVERY AGENTS EMISPHERE TECHNOLOGIES INC. (US) 2009-04-09 US disclosed
US-20090092580-A1 DIALKYL ETHER DELIVERY AGENTS EMISPHERE TECHNOLOGIES INC. (US) 2009-04-09 US disclosed
WO-2007121471-A2 DIALKYL ETHER DELIVERY AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2007-10-25 WO disclosed
US-6080869-A Benzothiazolone derivatives ASTRA PHARMACEUTICALS LIMITED (GB) 2000-06-27 US disclosed
US-6008365-A ADRENORECEPTOR AGONISTS AND DOPAMINE DA2-RECEPTOR AGONISTS, USEFUL IN THE TREATMENT OF OBSTRUCTIVE AIRWAY DISEASES ASTRA PHARMACEUTICALS LTD. (GB) 1999-12-28 US disclosed
US-5977384-A Benzothiazolone derivatives ASTRA PHARMACEUTICALS LTD. (GB) 1999-11-02 US disclosed
US-5973167-A Intermediates for making benzothiazolone derivatives ASTRA PHARMACEUTICALS LTD. (GB) 1999-10-26 US disclosed
US-5846989-A Benzothiazolone derivatives ASTRA PHARMACEUTICALS LIMITED (GB) 1998-12-08 US disclosed
US-4649160-A HYPOTENSIVE, ANTIARRHYTHMIA, ADRENERGIC BLOCKING AGENTS HOFFMANN-LA ROCHE INC. (US) 1987-03-10 US disclosed
EP-0041233-B1 SUBSTITUTED PHENOXY-AMINOPROPANOL DERIVATIVES, INTERMEDIATES AND PROCESSES FOR THEIR PRODUCTION, AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-02-15 EP 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-20090092580-A1 DIALKYL ETHER DELIVERY AGENTS LIPA, SLC10A1, ABCB11 FFAR4 1213/4885FFAR1 1337/4885HRH1 4796/4885

“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.