SCHEMBL6317815

SCHEMBL6317815

[CH2]N(C)CC(O)c1ccc(OCCO)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
RECQL P46063 1/20 0.46
NR1I2 O75469 1/20 0.42
GAA P10253 1/20 0.41
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
APP P05067 2/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
LSS P48449 1/20 0.37

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
SCHEMBL6317820 0.87 AOC3 (0.49) AOC3MEN1KMT2AALDH1A1RECQL
SCHEMBL6324606 0.82 AOC3 (0.46) AOC3MEN1KMT2ARECQLAPP
SCHEMBL6479386 0.80 AOC3 (0.70) AOC3ALDH1A1GAA
SCHEMBL6320185 0.75 AOC3 (0.46) AOC3MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6320570 0.74 TAAR1 (0.50) AOC3ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL6319835 0.74 ALDH1A1 (0.56) AOC3MEN1KMT2AALDH1A1RECQL
SCHEMBL6284970 0.74 AOC3 (0.68) AOC3MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6281260 0.73 AOC3 (0.68) AOC3MEN1KMT2ASMN1; SMN2
SCHEMBL6281298 0.73 AOC3 (0.68) AOC3MEN1KMT2ASMN1; SMN2
SCHEMBL10526922 0.73 ADRB2 (0.49) AOC3MEN1KMT2AALDH1A1RECQL

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
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
EP-1472260-A2 THIENO(3,2-B)PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2004-11-03 EP claimed
WO-2003059878-A2 THIENO (3, 2-B) PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 WO 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.