SCHEMBL5585291

SCHEMBL5585291

CN(C)C/C=C\c1ncccc1OCCO

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.38
HTR7 P34969 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NFE2L2 Q16236 1/20 0.35
SLC6A2 P23975 1/20 0.34
FGFR1 P11362 2/20 0.34
FGFR2 P21802 2/20 0.34
FGFR4 P22455 2/20 0.34
FGFR3 P22607 2/20 0.34
FLT3 P36888 2/20 0.34
KDR P35968 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
HTR1D P28221 2/20 0.33
HTR1B P28222 2/20 0.33
HTR1A P08908 1/20 0.33
TUBB1 Q9H4B7 1/20 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
SCHEMBL5585297 1.00 PDE5A (0.38) PDE5AHTR7KDM4EALDH1A1SMN1; SMN2
SCHEMBL5585320 1.00 PDE5A (0.38) PDE5AHTR7KDM4EALDH1A1SMN1; SMN2
SCHEMBL3876256 0.75 PDE5A (0.43) PDE5AKDM4EALDH1A1SMN1; SMN2SLC6A2
SCHEMBL21730198 0.75 PDE5A (0.40) PDE5AKDM4EALDH1A1SMN1; SMN2NFE2L2
SCHEMBL5585587 0.73 KDM4C (0.40)
SCHEMBL5585590 0.73 KDM4C (0.40)
SCHEMBL238407 0.71 HTR7 (0.53) HTR7KDM4EALDH1A1SMN1; SMN2SLC6A2
SCHEMBL4307757 0.70 CHRNB2 (0.46) PDE5AKDM4EALDH1A1SLC6A2
SCHEMBL5585616 0.70 KDM4E (0.47) HTR7KDM4EALDH1A1SMN1; SMN2SLC6A2
SCHEMBL6398470 0.69 NFE2L2 (0.46) KDM4ENFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7226925-B2 Compounds, their use and preparation BIOVITRUM AB (SE) 2007-06-05 US disclosed
US-20040029888-A1 Novel compounds, their use and preparation PROXIMAGEN NEUROSCIENCE PLC (GB) 2004-02-12 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-20040029888-A1 Novel compounds, their use and preparation TPH1, TPH2, HTR1A PDE5A 205/4885HTR7 15/4885KDM4E 3125/4885

“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.