SCHEMBL6320187

SCHEMBL6320187

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 7/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
LMNA P02545 1/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
CNR2 P34972 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
ADRB2 P07550 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL6320185 0.85 AOC3 (0.46) AOC3SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL6318414 0.84 HRH3 (0.50) AOC3SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL6320706 0.80 KDM4E (0.54) AOC3SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL25101015 0.79 TAAR1 (0.54) AOC3SMN1; SMN2KDM4ESLC6A2SLC6A4
SCHEMBL16327150 0.79 AOC3 (0.48) AOC3SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL6320573 0.79 TAAR1 (0.54) AOC3SMN1; SMN2KDM4ESLC6A2SLC6A4
SCHEMBL9196325 0.78 AOC3 (0.41) AOC3SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL1239178 0.78 AOC3 (0.47) AOC3SMN1; SMN2MEN1KMT2ASLC6A2
SCHEMBL6281264 0.78 AOC3 (0.72) AOC3SMN1; SMN2MEN1KMT2ASLC6A2
SCHEMBL1205131 0.78 AOC3 (0.72) AOC3KDM4EMEN1KMT2ASLC6A2

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 4410/4885SMN1; SMN2 947/4885KDM4E 1156/4885

“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.