SCHEMBL8088940

SCHEMBL8088940

Cc1ccc(CCOCC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 10/20 0.56
FFAR1 O14842 2/20 0.49
KCNH2 Q12809 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
TBXA2R P21731 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
SCHEMBL24915197 0.95 FFAR4 (0.53) FFAR4FFAR1KCNH2L3MBTL1TDP1
SCHEMBL13886127 0.89 FFAR4 (0.51) FFAR4FFAR1KCNH2L3MBTL1TDP1
SCHEMBL16542331 0.85 KCNH2 (0.46) FFAR4FFAR1KCNH2L3MBTL1TDP1
SCHEMBL8097212 0.84 KCNH2 (0.45) FFAR4FFAR1KCNH2L3MBTL1TDP1
SCHEMBL13886150 0.84 L3MBTL1 (0.56) FFAR4FFAR1KCNH2L3MBTL1TDP1
SCHEMBL3248092 0.82 FFAR4 (0.55) FFAR4FFAR1TDP1
SCHEMBL10791043 0.82 FFAR1 (0.54) FFAR4FFAR1
SCHEMBL13886119 0.81 FFAR4 (0.44) FFAR4FFAR1
SCHEMBL4668893 0.81 FFAR4 (0.49) FFAR4FFAR1
SCHEMBL8103430 0.81 FFAR4 (0.56) FFAR4FFAR1KCNH2TDP1

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 13 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
EP-0850232-B1 BENZOTHIAZOLONE DERIVATIVES ASTRA PHARMA PROD (GB) 2000-03-15 EP 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
EP-0850232-A1 BENZOTHIAZOLONE DERIVATIVES Astra Pharmaceuticals Limited (GB) 1998-07-01 EP disclosed
WO-1997010227-A1 BENZOTHIAZOLONE DERIVATIVES ASTRA PHARMACEUTICALS LIMITED (GB) 1997-03-20 WO disclosed
US-4649160-A HYPOTENSIVE, ANTIARRHYTHMIA, ADRENERGIC BLOCKING AGENTS HOFFMANN-LA ROCHE INC. (US) 1987-03-10 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 (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 1337/4885KCNH2 4356/4885

“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.