SCHEMBL5451522

SCHEMBL5451522

CCCOc1ccc(C=O)c(OCCCC(=O)O)c1C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
CYSLTR2 Q9NS75 6/20 0.44
CYSLTR1 Q9Y271 6/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
FFAR4 Q5NUL3 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.38
S1PR5 Q9H228 1/20 0.38

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
SCHEMBL5445536 0.96 CYSLTR2 (0.44) TSHRCYSLTR2CYSLTR1MEN1KMT2A
SCHEMBL5448955 0.88 SMN1; SMN2 (0.41) CYSLTR2CYSLTR1MEN1KMT2A
SCHEMBL5454243 0.87 ALDH1A1 (0.43) TSHRMEN1KMT2ALMNAL3MBTL1
SCHEMBL5446548 0.86 PTGDR2 (0.50) TSHRCYSLTR2CYSLTR1MEN1KMT2A
SCHEMBL5449411 0.85 HPGD (0.50) TSHRLMNA
SCHEMBL5443168 0.85 HPGD (0.37) KMT2ALMNAL3MBTL1
SCHEMBL5451486 0.85 LTA4H (0.41) TSHRCYSLTR2CYSLTR1
SCHEMBL11684336 0.84 GAA (0.46) LMNAL3MBTL1
SCHEMBL5446680 0.84 ALDH1A1 (0.36) LMNAL3MBTL1
SCHEMBL5444761 0.83 ERN1 (0.40) MEN1KMT2ALMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007506661-A 2007-03-22 JP claimed
US-20070037846-A1 Pyrazolidinedione derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-15 US claimed
EP-1638540-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2006-03-29 EP claimed
WO-2005000281-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS ACTELION PHARMACEUTICALS LTD. (CH) 2005-01-06 WO claimed
US-20070037846-A1 Pyrazolidinedione derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-15 US disclosed
EP-1638540-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2006-03-29 EP disclosed
WO-2005000281-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS ACTELION PHARMACEUTICALS LTD. (CH) 2005-01-06 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-20070037846-A1 Pyrazolidinedione derivatives P2RY1, P2RY4, P2RY2 TSHR 1457/4885CYSLTR2 387/4885CYSLTR1 246/4885

“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.