SCHEMBL5453243

SCHEMBL5453243

CCCOc1ccc(C=C2C(=O)NNC2=O)c2c1CCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
TSHR P16473 3/20 0.42
PLA2G1B P04054 2/20 0.42
ATG4B Q9Y4P1 2/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
MDM2 Q00987 2/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSP90AA1 P07900 1/20 0.36
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
PDE4A P27815 2/20 0.34
GAA P10253 1/20 0.34
PARP1 P09874 2/20 0.33

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
SCHEMBL5454304 0.97 ALDH1A1 (0.42) ALDH1A1KDM4ETSHRPLA2G1BATG4B
SCHEMBL5449216 0.80 SRC (0.56) ALDH1A1KDM4ELMNAPOLBKMT2A
SCHEMBL5449220 0.80 SRC (0.56) ALDH1A1KDM4ELMNAPOLBKMT2A
SCHEMBL5445704 0.79 ALDH1A1 (0.45) ALDH1A1KDM4ETSHRPLA2G1BATG4B
SCHEMBL5449007 0.79 MDM2 (0.44) ALDH1A1KDM4EPLA2G1BATG4BLMNA
SCHEMBL5441977 0.78 SRC (0.56) ALDH1A1KDM4ELMNAPOLBKMT2A
SCHEMBL5441974 0.78 SRC (0.56) ALDH1A1KDM4ELMNAPOLBKMT2A
SCHEMBL5457961 0.76 ALDH1A1 (0.45) ALDH1A1KDM4ETSHRPLA2G1BATG4B
SCHEMBL5450215 0.76 MDM2 (0.42) ALDH1A1KDM4ETSHRPLA2G1BATG4B
SCHEMBL5449125 0.76 MDM2 (0.47) ALDH1A1KDM4ETSHRPLA2G1BATG4B

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
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

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 ALDH1A1 1198/4885KDM4E 3443/4885TSHR 1457/4885

“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.