SCHEMBL1453954

SCHEMBL1453954

C[CH]CC(CCCC)Nc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.40
▸ ALDH1A1 P00352 6/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ TLR8 Q9NR97 2/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ HDAC3 O15379 3/20 0.36
▸ HDAC1 Q13547 3/20 0.36
▸ HDAC2 Q92769 3/20 0.36
▸ HDAC8 Q9BY41 3/20 0.36
▸ HDAC6 Q9UBN7 3/20 0.36
▸ HDAC4 P56524 2/20 0.36
▸ HDAC7 Q8WUI4 2/20 0.36
▸ HDAC10 Q969S8 2/20 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
SCHEMBL1454866 0.90 TDP1 (0.41) ALDH1A1MAPK1KMT2ASMN1; SMN2TDP1
SCHEMBL8520350 0.85 ENPP2 (0.42) ENPP2ALDH1A1MAPK1MEN1MAPT
SCHEMBL8436767 0.82 ALDH1A1 (0.45) ENPP2ALDH1A1MAPK1MEN1MAPT
SCHEMBL1455075 0.82 TDP1 (0.43) ALDH1A1MAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL6923800 0.82 CACNA2D1 (0.44) ENPP2ALDH1A1MAPK1MEN1MAPT
SCHEMBL25124425 0.82 ENPP2 (0.43) ENPP2ALDH1A1MAPK1MEN1MAPT
SCHEMBL10633066 0.81 HDAC8 (0.43) ENPP2ALDH1A1MAPK1MEN1MAPT
SCHEMBL18896255 0.80 TDP1 (0.45) ENPP2ALDH1A1MAPK1MEN1MAPT
SCHEMBL17894163 0.79 TLR8 (0.55) ENPP2ALDH1A1MAPK1MEN1MAPT
SCHEMBL21499101 0.79 HDAC8 (0.44) ENPP2ALDH1A1TDP1HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910617-B2 Method for suppressing the number of peripheral blood lymphocytes using an amino alcohol compound SANKYO COMPANY, LIMITED (JP) 2011-03-22 — — US disclosed
CN-1921847-B Amino alcohol compound SANKYO CO 2010-06-16 — — CN disclosed
US-20070191468-A1 Amino alcohol compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2007-08-16 — — US disclosed
CN-1921847-A Amino alcohol compound SANKYO CO (JP) 2007-02-28 — — CN disclosed
EP-1733724-A1 AMINO ALCOHOL COMPOUND Sankyo Company, Limited (JP) 2006-12-20 — — EP 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-20070191468-A1 Amino alcohol compound ADH1A, ADH1C, BCAT1 ENPP2 3019/4885ALDH1A1 62/4885MAPK1 268/4885

“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.

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