SCHEMBL5451486

SCHEMBL5451486

CCCOc1ccc(C=O)c(OCCCCC(=O)OCC)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
CYSLTR2 Q9NS75 2/20 0.38
CYSLTR1 Q9Y271 2/20 0.38
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PTPN1 P18031 1/20 0.37
PDE3B Q13370 1/20 0.36

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
SCHEMBL5448955 0.96 SMN1; SMN2 (0.41) LTA4HSMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL5445536 0.89 CYSLTR2 (0.44) CYSLTR2CYSLTR1TSHR
SCHEMBL5449612 0.86 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1HSD17B10PDE3BPDE3A
SCHEMBL5454243 0.85 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL5451522 0.85 TSHR (0.46) CYSLTR2CYSLTR1TSHR
SCHEMBL5441189 0.84 HPGD (0.46) SMN1; SMN2ALDH1A1CYP1A2CYP2C19CYP3A4
SCHEMBL5446680 0.84 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1TDP1
SCHEMBL5443168 0.83 HPGD (0.37) SMN1; SMN2ALDH1A1HSD17B10TDP1
SCHEMBL11684336 0.82 GAA (0.46) SMN1; SMN2ALDH1A1CYP1A2CYP2C19TDP1
SCHEMBL5444761 0.81 ERN1 (0.40) SMN1; SMN2ALDH1A1HSD17B10TDP1

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 LTA4H 1060/4885SMN1; SMN2 3694/4885ALDH1A1 1198/4885

“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.