SCHEMBL562138

SCHEMBL562138

CCC(Oc1cc(C)c(-c2cccc(C=O)c2C)c(C)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
PPARA Q07869 13/20 0.46
PPARG P37231 12/20 0.46
FABP4 P15090 2/20 0.40
FABP3 P05413 1/20 0.35
PDCD1 Q15116 3/20 0.34
CD274 Q9NZQ7 3/20 0.34

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
SCHEMBL562599 0.79 PTGDR2 (0.48) PPARG
SCHEMBL10203746 0.76 ALDH1A1 (0.41)
SCHEMBL10203752 0.75 PPARA (0.43) SMN1; SMN2PPARAPPARG
SCHEMBL11359371 0.75 SMN1; SMN2 (0.73) SMN1; SMN2PPARAPPARG
SCHEMBL10203729 0.73 FFAR1 (0.35) SMN1; SMN2PDCD1CD274
SCHEMBL562872 0.72 ALDH1A1 (0.41)
SCHEMBL2911933 0.72 KAT6A (0.37) SMN1; SMN2CD274
SCHEMBL10203744 0.72 FFAR1 (0.42) SMN1; SMN2
SCHEMBL10264059 0.72 RECQL (0.46) SMN1; SMN2
SCHEMBL562863 0.72 LMNA (0.41) SMN1; SMN2

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 2 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

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 SMN1; SMN2 3487/4885PPARA 104/4885PPARG 80/4885

“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.