SCHEMBL5605664

SCHEMBL5605664

CCN(CC)CCOCc1ccc(C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
RXRA P19793 5/20 0.49
RXRB P28702 4/20 0.49
CYP2D6 P10635 2/20 0.47
HRH3 Q9Y5N1 2/20 0.47
TSHR P16473 1/20 0.47
MAOA P21397 1/20 0.47
HTR3A P46098 1/20 0.47
PLA2G4B P0C869 1/20 0.46
NR4A2 P43354 1/20 0.46
BLM P54132 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 2/20 0.44
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44

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
SCHEMBL5606050 0.85 TSHR (0.51) ALDH1A1CYP2D6HRH3TSHRMAOA
SCHEMBL8133937 0.84 ALDH1A1 (0.53) ALDH1A1RXRARXRBPLA2G4BNR4A2
SCHEMBL1749934 0.82 ALDH1A1 (0.57) ALDH1A1RXRARXRBTSHRPLA2G4B
SCHEMBL27945814 0.81 PLA2G4B (0.52) ALDH1A1CYP2D6TSHRPLA2G4BLMNA
SCHEMBL2431466 0.80 CYP1A2 (0.56) ALDH1A1CYP2D6TSHRSMN1; SMN2LMNA
SCHEMBL1750568 0.79 PLA2G4B (0.63) ALDH1A1RXRARXRBTSHRPLA2G4B
SCHEMBL1348061 0.78 ALDH1A1 (0.57) ALDH1A1TSHRRAB9ASMN1; SMN2
SCHEMBL7057892 0.78 AGXT (0.44) ALDH1A1CYP2D6POLBKDM4ECYP1A2
SCHEMBL1749635 0.78 ALDH1A1 (0.61) ALDH1A1RXRARXRBPLA2G4BNR4A2
SCHEMBL250102 0.78 EBP (0.69) CYP2D6HRH3TSHRPLA2G4BNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100543032-C Streptogramin derivatives, preparation method and compositions containing them AVETIS PHARMA S A (FR) 2009-09-23 CN disclosed
CN-1961878-A Streptogramin derivatives, their preparation and compositions containing them AVENTIS PHARMA SA (FR) 2007-05-16 CN disclosed
US-7166594-B2 Antibacterial activity AVENTIS PHARMA S.A. (FR) 2007-01-23 US disclosed
EP-1187847-B1 STREPTOGRAMIN DERIVATIVES, PREPARATION AND COMPOSITIONS CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-12-03 EP disclosed
US-20030149004-A1 Streptogramin derivatives, their preparation and compositions containing them AVENTIS PHARMA S.A. 2003-08-07 US disclosed
US-6569854-B1 Virginamycins AVENTIS PHARMA S.A. (FR) 2003-05-27 US disclosed
CN-1358194-A Streptogramin derivatives, preparation method and compositions containing them AVETIS PHARMA S A (FR) 2002-07-10 CN disclosed
EP-1187847-A1 STREPTOGRAMIN DERIVATIVES, PREPARATION AND COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 2002-03-20 EP disclosed
WO-2001002427-A1 STREPTOGRAMIN DERIVATIVES, PREPARATION AND COMPOSITIONS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2001-01-11 WO disclosed
EP-0894797-A1 NOVEL AMIDE DERIVATIVES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF TERUMO KABUSHIKI KAISHA (JP) 1999-02-03 EP 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-20030149004-A1 Streptogramin derivatives, their preparation and compositions containing them MRPL21, ABHD5, APEH ALDH1A1 4296/4885RXRA 1215/4885RXRB 888/4885

“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.