SCHEMBL6317820

SCHEMBL6317820

CN(C)CC(O)c1ccc(OCCO)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NR1I2 O75469 1/20 0.45
ALDH1A1 P00352 2/20 0.44
RECQL P46063 1/20 0.44
HPGD P15428 1/20 0.42
CYP3A4 P08684 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.41
HIF1A Q16665 1/20 0.41
APP P05067 2/20 0.40
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
TSHR P16473 1/20 0.40
LSS P48449 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL6317815 0.87 AOC3 (0.46) AOC3MEN1KMT2ANR1I2ALDH1A1
SCHEMBL6324610 0.81 AOC3 (0.48) AOC3MEN1KMT2ARECQLHTT
SCHEMBL6479388 0.79 AOC3 (0.74) AOC3ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL6319835 0.77 ALDH1A1 (0.56) AOC3MEN1KMT2ANR1I2ALDH1A1
SCHEMBL7554233 0.76 ESRRG (0.49) ALDH1A1SMN1; SMN2
SCHEMBL2935863 0.75 ALDH1A1 (0.55) MEN1KMT2ANR1I2ALDH1A1RECQL
SCHEMBL5551011 0.74 RAB9A (0.54) MEN1KMT2ANR1I2ALDH1A1RECQL
SCHEMBL347372 0.74 ALDH1A1 (0.54) MEN1KMT2ANR1I2ALDH1A1RECQL
SCHEMBL9818175 0.74 ALDH1A1 (0.58) NR1I2ALDH1A1RECQLCYP3A4SMN1; SMN2
SCHEMBL28784948 0.74 NR1I2 (0.49) MEN1KMT2ANR1I2ALDH1A1RECQL

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-6852731-B2 Antiviral compounds PFIZER (US) 2005-02-08 US claimed
US-20040242884-A1 ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY 2004-12-02 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-20040242884-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, IRF3, IFNAR1 AOC3 4410/4885MEN1 1462/4885KMT2A 2402/4885

“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.