SCHEMBL320664

SCHEMBL320664

O=C(O)COCCc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 12/20 0.56
FFAR1 O14842 2/20 0.49
TBXA2R P21731 1/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL3594094 0.84 FFAR1 (0.56) FFAR4FFAR1LMNA
SCHEMBL3248092 0.82 FFAR4 (0.55) FFAR4FFAR1LMNA
SCHEMBL8103430 0.81 FFAR4 (0.56) FFAR4FFAR1
SCHEMBL8088940 0.81 FFAR4 (0.56) FFAR4FFAR1TBXA2R
SCHEMBL4668893 0.81 FFAR4 (0.49) FFAR4FFAR1
SCHEMBL16542346 0.81 FFAR4 (0.41) FFAR4FFAR1LMNA
Hydrochloric Acid SCHEMBL7690739 0.81 FFAR4 (0.54) FFAR4FFAR1LMNA
SCHEMBL3884363 0.81 FFAR4 (0.54) FFAR4FFAR1LMNA
SCHEMBL360819 0.81 NR4A2 (0.50) FFAR1ALDH1A1
SCHEMBL1623271 0.80 FFAR1 (0.49) FFAR1

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-20130261178-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES MISTRY SHAILESH (GB) 2013-10-03 US disclosed
EP-2590937-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES The University Of Nottingham (GB) 2013-05-15 EP disclosed
WO-2012004549-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES THE UNIVERSITY OF NOTTINGHAM (GB) 2012-01-12 WO disclosed
EP-2029601-B1 PYRIDOPYRIMIDINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-06-02 EP disclosed
US-7572801-B2 Pyridopyrimidinone derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-11 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-2029601-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-04 EP disclosed
US-20070275987-A1 Novel pyridopyprimidinone derivatives which are HM74A agonists HOFFMAN-LA ROCHE INC 2007-11-29 US disclosed
WO-2007134986-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 WO disclosed
WO-2007121471-A2 DIALKYL ETHER DELIVERY AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2007-10-25 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 (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-20130261178-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES NR3C2, NPR3, ADRB3 FFAR4 181/4885FFAR1 51/4885TBXA2R 172/4885
US-20070275987-A1 Novel pyridopyprimidinone derivatives which are HM74A agonists GPR119, HCAR1, GPR84 FFAR4 67/4885FFAR1 14/4885TBXA2R 46/4885
US-20090092580-A1 DIALKYL ETHER DELIVERY AGENTS LIPA, SLC10A1, ABCB11 FFAR4 1213/4885FFAR1 1337/4885TBXA2R 761/4885

“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.