SCHEMBL1454257

SCHEMBL1454257

C[CH]CCCC(CC)Nc1ccc(C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ MMP8 P22894 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ NR3C1 P04150 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ NR3C2 P08235 1/20 0.32

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
SCHEMBL1454077 0.85 CACNA2D1 (0.39) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL1455355 0.81 CACNA2D1 (0.38) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL1454981 0.80 ALDH1A1 (0.42) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL26545301 0.79 ALDH1A1 (0.43) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL1454309 0.75 TDP1 (0.41) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL17696535 0.74 CA12 (0.39) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL1455174 0.73 ALDH1A1 (0.45) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL23929244 0.72 THRB (0.43) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL13675810 0.71 CA1 (0.41) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL13675804 0.71 CA1 (0.41) ALDH1A1TP53HSP90AA1CYP3A4THRB

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-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
US-20070191468-A1 Amino alcohol compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2007-08-16 — — US 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 ALDH1A1 62/4885TP53 2554/4885HSP90AA1 3621/4885

“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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