SCHEMBL1454745

SCHEMBL1454745

C[CH]C(CCC)Nc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.43
▸ TSHR P16473 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ HSD17B10 Q99714 4/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ ALOX15 P16050 3/20 0.38
▸ ALOX12 P18054 2/20 0.38
▸ THRB P10828 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ HIF1A Q16665 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ AOC3 Q16853 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ KCNH3 Q9ULD8 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ CA12 O43570 1/20 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
SCHEMBL1454746 0.89 TDP1 (0.41) TDP1ALDH1A1HSD17B10MAPK1SMN1; SMN2
SCHEMBL1453687 0.87 TDP1 (0.39) TDP1ALDH1A1HSD17B10MAPK1SMN1; SMN2
SCHEMBL5430418 0.87 TDP1 (0.42) TDP1TSHRALDH1A1HSD17B10CYP3A4
SCHEMBL1453462 0.84 TDP1 (0.46) TDP1TSHRALDH1A1HSD17B10CYP3A4
SCHEMBL141088 0.83 TDP1 (0.42) TDP1TSHRALDH1A1HSD17B10CYP3A4
SCHEMBL1804931 0.80 TDP1 (0.46) TDP1TSHRALDH1A1HSD17B10CYP3A4
SCHEMBL14541275 0.75 TDP1 (0.50) TDP1TSHRALDH1A1HSD17B10CYP3A4
SCHEMBL1454866 0.74 TDP1 (0.41) TDP1TSHRALDH1A1HSD17B10CYP3A4
SCHEMBL1454381 0.74 TDP1 (0.54) TDP1TSHRALDH1A1HSD17B10CYP3A4
SCHEMBL19265914 0.74 TDP1 (0.54) TDP1TSHRALDH1A1HSD17B10CYP3A4

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 TDP1 1914/4885TSHR 1558/4885ALDH1A1 62/4885

“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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