SCHEMBL562548

SCHEMBL562548

CC(=O)OC(C)(C)CCOc1cc(C)c(-c2cccc(C=O)c2C)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.36
CD274 Q9NZQ7 2/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
PLA2G1B P04054 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
PDCD1 Q15116 1/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
CXCR5 P32302 1/20 0.31
CYP2D6 P10635 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30

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
SCHEMBL2020160 0.88 FFAR4 (0.35) FFAR1CD274ALDH1A1MAPTTDP1
SCHEMBL561861 0.86 FFAR1 (0.42) FFAR1CD274CYP2D6
SCHEMBL13117623 0.84 FFAR1 (0.32) FFAR1CD274PDCD1PTGDR2
SCHEMBL10203729 0.84 FFAR1 (0.35) FFAR1CD274ALDH1A1PDCD1HPGD
SCHEMBL10264267 0.80 PDK2 (0.47) CD274ALDH1A1TDP1L3MBTL1PDCD1
SCHEMBL10203750 0.79 CA1 (0.46) CD274TDP1L3MBTL1PDCD1CYP2D6
SCHEMBL13117619 0.79
SCHEMBL13117527 0.79 FFAR1 (0.38) FFAR1
SCHEMBL10203743 0.79 FFAR1 (0.39) FFAR1CD274ALDH1A1MAPTTDP1
SCHEMBL562599 0.79 PTGDR2 (0.48) FFAR1ALDH1A1HPGDPTGDR2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423176-A1 CARBOXYLIC ACID COMPOUND Astellas Pharma Inc. (JP) 2012-02-29 EP disclosed
US-20120035196-A1 CARBOXYLIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-09 US disclosed
US-20120035196-A1 CARBOXYLIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-09 US disclosed
US-20120035196-A1 CARBOXYLIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-09 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-20120035196-A1 CARBOXYLIC ACID COMPOUND GPR119, GPR65, GPR55 FFAR1 23/4885CD274 3683/4885ALDH1A1 1534/4885

“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.