SCHEMBL2774503

SCHEMBL2774503

O=C(O)CCc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.83
KEAP1 Q14145 1/20 0.83
TBXAS1 P24557 2/20 0.69
FFAR4 Q5NUL3 5/20 0.63
HDAC3 O15379 1/20 0.63
MAPK1 P28482 1/20 0.63
ADRA1A P35348 1/20 0.63
HDAC4 P56524 1/20 0.63
SLC6A3 Q01959 1/20 0.63
HDAC1 Q13547 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
HDAC7 Q8WUI4 1/20 0.63
HDAC2 Q92769 1/20 0.63
HDAC10 Q969S8 1/20 0.63
HDAC11 Q96DB2 1/20 0.63
HDAC8 Q9BY41 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
HDAC9 Q9UKV0 1/20 0.63
HDAC5 Q9UQL6 1/20 0.63
MAPT P10636 1/20 0.59

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
SCHEMBL12394493 0.91 FFAR1 (1.00) FFAR1KEAP1FFAR4HDAC3MAPK1
Phenyl Propionic Acid SCHEMBL27523271 0.91 KEAP1 (1.00) FFAR1KEAP1FFAR4HDAC3MAPK1
Phenyl Propionic Acid SCHEMBL235064 0.91 KEAP1 (1.00) FFAR1KEAP1FFAR4HDAC3MAPK1
Phenyl Propionic Acid SCHEMBL3419 0.91 KEAP1 (1.00) FFAR1KEAP1FFAR4HDAC3MAPK1
Phenyl Propionic Acid SCHEMBL29619843 0.91 KEAP1 (1.00) FFAR1KEAP1FFAR4HDAC3MAPK1
Phenyl Propionic Acid SCHEMBL13618844 0.91 KEAP1 (1.00) FFAR1KEAP1FFAR4HDAC3MAPK1
Phenyl Propionic Acid SCHEMBL14715905 0.89 KEAP1 (0.95) FFAR1KEAP1FFAR4HDAC3MAPK1
Phenyl Propionic Acid SCHEMBL3478262 0.89 KEAP1 (0.95) FFAR1KEAP1FFAR4HDAC3MAPK1
Phenyl Propionic Acid SCHEMBL9122761 0.89 KEAP1 (0.95) FFAR1KEAP1FFAR4HDAC3MAPK1
Phenyl Propionic Acid SCHEMBL8901632 0.89 KEAP1 (0.95) FFAR1KEAP1FFAR4HDAC3MAPK1

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
EP-3615515-A2 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF Aviara Pharmaceuticals, Inc. (US) 2020-03-04 EP disclosed
WO-2018209363-A2 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS, INC (US) 2018-11-15 WO disclosed
US-20140045800-A1 TETRACYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE THE SCRIPPS RESEARCH INSTITUTE (US) 2014-02-13 US disclosed
US-8372823-B2 Tetracyclic inhibitors of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2013-02-12 US disclosed
EP-2152082-B1 TETRACYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE SCRIPPS RESEARCH INST (US) 2012-08-29 EP disclosed
US-20100249078-A1 TETRACYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE THE SCRIPS RESEARCH INSTITUTE (US) 2010-09-30 US disclosed
EP-2152082-A1 TETRACYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE The Scripps Research Institute (US) 2010-02-17 EP disclosed
WO-2008147553-A1 TETRACYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE THE SCRIPPS RESEARCH INSTITUTE (US) 2008-12-04 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 (2 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-20100249078-A1 TETRACYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, APEH FFAR1 16/4885KEAP1 1371/4885TBXAS1 265/4885
US-20140045800-A1 TETRACYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, APEH FFAR1 16/4885KEAP1 1371/4885TBXAS1 265/4885

“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.