SCHEMBL3979279

SCHEMBL3979279

C[C@H](CNCC(c1ccccc1)c1ccccc1)COc1cccc(CC(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 6/20 0.52
NR1H2 P55055 5/20 0.52
BCHE P06276 2/20 0.46
FFAR1 O14842 1/20 0.44
ABCB1 P08183 2/20 0.43
PLA2G4B P0C869 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
GPR88 Q9GZN0 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
SCHEMBL3979283 1.00 NR1H3 (0.52) NR1H3NR1H2BCHEFFAR1ABCB1
SCHEMBL3978325 0.91 BCHE (0.44) NR1H3NR1H2BCHEFFAR1ABCB1
SCHEMBL3978329 0.91 BCHE (0.44) NR1H3NR1H2BCHEFFAR1ABCB1
SCHEMBL4950334 0.83 BCHE (0.54) NR1H3NR1H2BCHEABCB1KDM4E
SCHEMBL4950338 0.83 BCHE (0.54) NR1H3NR1H2BCHEABCB1KDM4E
SCHEMBL4947620 0.83 BCHE (0.54) NR1H3NR1H2BCHEABCB1KDM4E
SCHEMBL4086901 0.81 ALOX15 (0.56) NR1H3NR1H2PLA2G4BKDM4ETDP1
SCHEMBL3984308 0.79 NR1H3 (0.49) NR1H3NR1H2BCHEFFAR1ABCB1
SCHEMBL3984311 0.79 NR1H3 (0.49) NR1H3NR1H2BCHEFFAR1ABCB1
SCHEMBL11805244 0.78 PLA2G4B (0.52) NR1H3NR1H2PLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560586-B2 Acid and ester compounds and methods of using the same SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed
US-20060041164-A1 Acid and ester compounds and methods of using the same GLAXOSMITHKLINE LLC 2006-02-23 US disclosed
EP-1487776-A4 ACID AND ESTER COMPOUNDS AND METHODS OF USING THE SAME SMITHKLINE BEECHAM CORP (US) 2005-05-25 EP disclosed
EP-1487776-A1 ACID AND ESTER COMPOUNDS AND METHODS OF USING THE SAME SMITHKLINE BEECHAM CORPORATION (US) 2004-12-22 EP disclosed
WO-2003082802-A1 ACID AND ESTER COMPOUNDS AND METHODS OF USING THE SAME SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 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-20060041164-A1 Acid and ester compounds and methods of using the same NR1H3, NR1H2, PPARA NR1H3 1/4885NR1H2 2/4885BCHE 1547/4885

“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.