SCHEMBL5456652

SCHEMBL5456652

CCCOc1cccc2c1CCC2

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.50
RXRB P28702 8/20 0.50
RXRG P48443 5/20 0.50
MRGPRX4 Q96LA9 1/20 0.48
PTGES O14684 1/20 0.47
ALOX5 P09917 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
HTR1A P08908 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
HRH3 Q9Y5N1 2/20 0.46
S1PR5 Q9H228 1/20 0.44
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
MCL1 Q07820 2/20 0.43
SSTR4 P31391 1/20 0.43

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
SCHEMBL5448918 0.97 RXRA (0.50) RXRARXRBRXRGMRGPRX4PTGES
SCHEMBL12968228 0.92 PTGES (0.55) RXRARXRBRXRGMRGPRX4PTGES
SCHEMBL15625773 0.90 S1PR5 (0.54) RXRARXRBRXRGMRGPRX4PTGES
SCHEMBL12967933 0.88 PTGES (0.58) RXRARXRBRXRGMRGPRX4PTGES
SCHEMBL22692751 0.87 S1PR5 (0.54) RXRARXRBRXRGMRGPRX4PTGES
SCHEMBL9719997 0.85 RXRA (0.55) RXRARXRBRXRGMRGPRX4PTGES
SCHEMBL10990565 0.83 HTR1B (0.52) RXRARXRBRXRGMRGPRX4PTGES
SCHEMBL2416358 0.83 RXRB (0.50) RXRARXRBRXRGMRGPRX4PTGES
SCHEMBL6573511 0.83 RXRB (0.50) RXRARXRBRXRGMRGPRX4HTR1A
SCHEMBL11015470 0.83 RXRB (0.50) RXRARXRBRXRGMRGPRX4HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RXRA 2626/4885RXRB 2746/4885RXRG 2753/4885

“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.