SCHEMBL1454077

SCHEMBL1454077

C[CH]CCCC(CC)Nc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 1/20 0.39
▸ TDP1 Q9NUW8 3/20 0.38
▸ LMNA P02545 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ ALOX15 P16050 3/20 0.34
▸ TSHR P16473 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ THRB P10828 2/20 0.34
▸ ALOX12 P18054 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ RECQL P46063 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ HIF1A Q16665 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HDAC3 O15379 2/20 0.33
▸ HDAC4 P56524 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33

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
SCHEMBL1455355 0.95 CACNA2D1 (0.38) CACNA2D1TDP1LMNAPOLBALDH1A1
SCHEMBL1454309 0.90 TDP1 (0.41) CACNA2D1TDP1LMNAPOLBALDH1A1
SCHEMBL1454257 0.85 ALDH1A1 (0.36) CACNA2D1TDP1POLBALDH1A1CYP3A4
SCHEMBL8436767 0.82 ALDH1A1 (0.45) CACNA2D1TDP1LMNAPOLBALDH1A1
SCHEMBL11045235 0.81 TDP1 (0.42) CACNA2D1TDP1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL1454763 0.79 ALDH1A1 (0.46) CACNA2D1TDP1LMNAALDH1A1CYP3A4
SCHEMBL30464709 0.79 HDAC8 (0.43) CACNA2D1TDP1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL11533028 0.79 HDAC8 (0.43) CACNA2D1TDP1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL20655979 0.79 HDAC8 (0.43) CACNA2D1TDP1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL29745004 0.79 HDAC8 (0.43) CACNA2D1TDP1ALDH1A1MAPK1SMN1; SMN2

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 CACNA2D1 3385/4885TDP1 1914/4885LMNA 3709/4885

“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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