SCHEMBL4398478

SCHEMBL4398478

Cc1ccccc1CCOCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
TAAR1 Q96RJ0 1/20 0.44
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
CTBP2 P56545 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALOX5 P09917 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
PTGS2 P35354 2/20 0.40
FFAR4 Q5NUL3 1/20 0.40
FFAR1 O14842 1/20 0.40
ALOX15 P16050 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL13886131 0.90 PTGER1 (0.43) KDM4ETAAR1ALDH1A1HPGDCTBP2
SCHEMBL16542314 0.86 TAAR1 (0.44) KDM4ETAAR1ALDH1A1HPGDCTBP2
SCHEMBL8088574 0.85 TAAR1 (0.47) KDM4ETAAR1ALDH1A1HPGDCTBP2
SCHEMBL13886097 0.82 MAOB (0.49) KDM4EALDH1A1HPGDCTBP2THRA
SCHEMBL9181973 0.81 TAAR1 (0.58) KDM4ETAAR1ALOX5PTGS2HCAR2
SCHEMBL3082606 0.80 POLB (0.56) TAAR1L3MBTL1ALOX5KMT2A
SCHEMBL13886118 0.80 TAAR1 (0.47) KDM4ETAAR1L3MBTL1CHRM1FFAR4
SCHEMBL3891807 0.79 KMT2A (0.47) TAAR1CTBP2L3MBTL1FFAR1KMT2A
SCHEMBL13886094 0.79 TAAR1 (0.46) KDM4ETAAR1ALDH1A1ALOX5FFAR4
SCHEMBL16542334 0.79 FFAR4 (0.40) L3MBTL1FFAR4ALOX15

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 17 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
EP-2007372-B1 DIALKYL ETHER DELIVERY AGENTS EMISPHERE TECH INC (US) 2015-03-04 EP disclosed
US-8703821-B2 Dialkyl ether delivery agents EMISPHERE TECHNOLOGIES INC. (US) 2014-04-22 US 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
US-20090092580-A1 DIALKYL ETHER DELIVERY AGENTS EMISPHERE TECHNOLOGIES INC. (US) 2009-04-09 US disclosed
EP-2007372-A2 DIALKYL ETHER DELIVERY AGENTS Emisphere Technologies, Inc. (US) 2008-12-31 EP disclosed
WO-2007121471-A2 DIALKYL ETHER DELIVERY AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2007-10-25 WO 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

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 KDM4E 1435/4885TAAR1 3015/4885ALDH1A1 1567/4885

“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.