SCHEMBL15346309

SCHEMBL15346309

Cc1cccc(C)c1OCCNCC(O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
SCN8A Q9UQD0 4/20 0.58
SMN1; SMN2 Q16637 1/20 0.53
ALOX15 P16050 1/20 0.53
KDM4E B2RXH2 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HTR1A P08908 1/20 0.52
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ADRB1 P08588 2/20 0.47
ADRB3 P13945 1/20 0.47
SCN4A P35499 2/20 0.47
ADRB2 P07550 3/20 0.46
DRD2 P14416 2/20 0.46
DRD1 P21728 2/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46

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
SCHEMBL15346432 1.00 ALDH1A1 (0.58) ALDH1A1SCN8ASMN1; SMN2ALOX15KDM4E
SCHEMBL15346302 1.00 ALDH1A1 (0.58) ALDH1A1SCN8ASMN1; SMN2ALOX15KDM4E
SCHEMBL15346418 0.96 ALDH1A1 (0.64) ALDH1A1SCN8ASMN1; SMN2ALOX15KDM4E
SCHEMBL16446046 0.92 ALDH1A1 (0.50) ALDH1A1SCN8ASMN1; SMN2ALOX15KDM4E
SCHEMBL15346343 0.91 ALDH1A1 (0.52) ALDH1A1SCN8ASMN1; SMN2ALOX15KDM4E
SCHEMBL15346289 0.89 ALDH1A1 (0.56) ALDH1A1SCN8ASMN1; SMN2ALOX15KDM4E
SCHEMBL15346263 0.85 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2ALOX15KDM4EL3MBTL1
SCHEMBL16445466 0.84 ALDH1A1 (0.45) ALDH1A1SCN8ASMN1; SMN2ALOX15KDM4E
SCHEMBL1195765 0.82 KDM4E (0.62) ALDH1A1SCN8ASMN1; SMN2KDM4EHTR1A
SCHEMBL1195323 0.82 KDM4E (0.62) ALDH1A1SCN8ASMN1; SMN2KDM4EHTR1A

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-8841347-B2 Derivatives of aminoalkanols, method of obtaining of aminoalkanols and their use UNIWERSYTET JAGIELLONSKI (PL) 2014-09-23 US claimed
US-8633251-B2 Derivatives of aminoalkanols, method of obtaining of aminoalkanols and their use UNIWERSYTET JAGIELLONSKI (PL) 2014-01-21 US claimed
US-20130289118-A1 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE UNIWERSYTET JAGIELLONSKI (PL) 2013-10-31 US claimed

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-20130289118-A1 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE SCN1A, SCN3A, ACHE ALDH1A1 461/4885SCN8A 7/4885SMN1; SMN2 812/4885

“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.