SCHEMBL5452825

SCHEMBL5452825

CN(C)CCCOC(=O)c1ccc(I)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.72
ALDH1A1 P00352 4/20 0.67
PHLPP2 Q6ZVD8 1/20 0.58
MAPT P10636 2/20 0.52
LMNA P02545 5/20 0.51
CYP1A2 P05177 4/20 0.51
DRD3 P35462 2/20 0.51
SCN1A P35498 2/20 0.51
SLC6A3 Q01959 2/20 0.51
KCNH2 Q12809 2/20 0.51
SCN2A Q99250 2/20 0.51
SCN3A Q9NY46 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP3A4 P08684 2/20 0.51
CHRM2 P08172 1/20 0.51
HTR1A P08908 1/20 0.51
MAPK1 P28482 3/20 0.51
MAOA P21397 1/20 0.51
CNR1 P21554 1/20 0.51
DRD4 P21917 1/20 0.51

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
SCHEMBL14218448 0.95 GAA (0.66) GAAALDH1A1PHLPP2MAPTLMNA
SCHEMBL14218450 0.94 GAA (0.64) GAAALDH1A1PHLPP2MAPTLMNA
SCHEMBL9629064 0.92 GAA (0.84) GAAALDH1A1PHLPP2MAPTLMNA
SCHEMBL34468111 0.90 PHLPP2 (0.71) GAAALDH1A1PHLPP2MAPTLMNA
SCHEMBL14924442 0.85 GAA (0.74) GAAALDH1A1PHLPP2MAPTLMNA
SCHEMBL11641497 0.84 PHLPP2 (0.82) GAAALDH1A1PHLPP2MAPTLMNA
SCHEMBL11287086 0.83 GAA (0.71) GAAALDH1A1PHLPP2MAPTLMNA
SCHEMBL26807545 0.83 PHLPP2 (0.57) GAAALDH1A1PHLPP2MAPTLMNA
SCHEMBL5028692 0.81 ESR1 (0.72) GAAALDH1A1MAPTLMNACYP1A2
SCHEMBL19321968 0.81 GAA (0.64) GAAALDH1A1PHLPP2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641729-B1 USE OF FUNCTIONALIZED ONIUM SALTS AS A SOLUBLE SUPPORT FOR ORGANIC SYNTHESIS CENTRE NAT RECH SCIENT (FR) 2008-05-07 EP disclosed
US-20070043234-A1 Use of functionalized onium salts as a soluble support for organic synthesis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-02-22 US disclosed
US-20070043234-A1 Use of functionalized onium salts as a soluble support for organic synthesis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-02-22 US disclosed
US-20070043234-A1 Use of functionalized onium salts as a soluble support for organic synthesis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-02-22 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-20070043234-A1 Use of functionalized onium salts as a soluble support for organic synthesis NOS1, NOS2, F12 GAA 1702/4885ALDH1A1 1010/4885PHLPP2 4869/4885

“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.