SCHEMBL5457961

SCHEMBL5457961

CCCOc1ccc(C=O)c2c1CCCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
HPGD P15428 5/20 0.45
KDM4E B2RXH2 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 3/20 0.42
TSHR P16473 3/20 0.42
HSD17B10 Q99714 3/20 0.42
POLB P06746 3/20 0.42
LMNA P02545 1/20 0.42
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
MAPT P10636 3/20 0.37
MAPK1 P28482 1/20 0.37
ERN1 O75460 2/20 0.36
RXRA P19793 3/20 0.36
RXRB P28702 3/20 0.36
RXRG P48443 3/20 0.36
GAA P10253 3/20 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
SCHEMBL5445704 0.97 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL13271854 0.89 GAA (0.43) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL19249613 0.86 LMNA (0.42) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL5454304 0.79 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL11735040 0.78 PNMT (0.39) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL12035686 0.78 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL5453243 0.76 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL11621805 0.76 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL3371584 0.76 RXRB (0.49) KMT2ASMN1; SMN2MAPTERN1RXRA
SCHEMBL10551125 0.76 ALDH1A1 (0.43) ALDH1A1HPGDMEN1KMT2ASMN1; 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 9 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-2005002574-A1 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2005-01-13 WO 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-2005002574-A1 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2005-01-13 WO 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 ALDH1A1 1198/4885HPGD 337/4885KDM4E 3443/4885

“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.