SCHEMBL1454866

SCHEMBL1454866

C[CH]CC(CCC)Nc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.41
▸ SIGMAR1 Q99720 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ ALOX15 P16050 3/20 0.36
▸ TSHR P16473 3/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ ALOX12 P18054 2/20 0.36
▸ THRB P10828 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ HIF1A Q16665 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ AOC3 Q16853 1/20 0.34
▸ CACNA2D1 P54289 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ TAS1R3 Q7RTX0 3/20 0.33
▸ TAS1R1 Q7RTX1 3/20 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
SCHEMBL1453954 0.90 ENPP2 (0.40) TDP1ALDH1A1CYP3A4ALOX15TSHR
SCHEMBL1455075 0.85 TDP1 (0.43) TDP1ALDH1A1CYP3A4ALOX15TSHR
SCHEMBL14541275 0.85 TDP1 (0.50) TDP1SIGMAR1ALDH1A1CYP3A4ALOX15
SCHEMBL1454286 0.84 TDP1 (0.39) TDP1SIGMAR1ALDH1A1CYP3A4ALOX15
SCHEMBL10889654 0.81 TDP1 (0.46) TDP1SIGMAR1ALDH1A1CYP3A4ALOX15
SCHEMBL6923800 0.78 CACNA2D1 (0.44) TDP1SIGMAR1ALDH1A1CYP3A4ALOX15
SCHEMBL24404172 0.75 HDAC8 (0.43) TDP1SIGMAR1ALDH1A1CACNA2D1
SCHEMBL28320279 0.75 HDAC8 (0.43) TDP1SIGMAR1ALDH1A1CACNA2D1
SCHEMBL1454309 0.75 TDP1 (0.41) TDP1ALDH1A1CYP3A4ALOX15TSHR
SCHEMBL11458527 0.75 HDAC8 (0.43) TDP1SIGMAR1ALDH1A1CACNA2D1

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 1914/4885SIGMAR1 1513/4885ALDH1A1 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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