SCHEMBL1453687

SCHEMBL1453687

C[CH]C(CCCCC)Nc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.39
▸ HDAC8 Q9BY41 7/20 0.39
▸ HDAC3 O15379 5/20 0.39
▸ HDAC6 Q9UBN7 5/20 0.39
▸ HDAC1 Q13547 4/20 0.39
▸ HDAC2 Q92769 4/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ HDAC4 P56524 2/20 0.38
▸ HDAC7 Q8WUI4 2/20 0.38
▸ HDAC10 Q969S8 2/20 0.38
▸ HDAC11 Q96DB2 2/20 0.38
▸ HDAC9 Q9UKV0 2/20 0.38
▸ HDAC5 Q9UQL6 2/20 0.38
▸ EPHX1 P07099 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ KCNH3 Q9ULD8 1/20 0.37
▸ SOAT2 O75908 1/20 0.37
▸ SOAT1 P35610 1/20 0.37
▸ CSNK1E P49674 1/20 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
SCHEMBL1454746 0.95 TDP1 (0.41) TDP1HDAC8HDAC3HDAC6HDAC1
SCHEMBL1454745 0.87 TDP1 (0.43) TDP1HDAC8HDAC3HDAC1HDAC2
SCHEMBL17186181 0.85 CSNK1E (0.40) TDP1HDAC8HDAC3HDAC6HDAC1
SCHEMBL17186180 0.85 CSNK1E (0.40) TDP1HDAC8HDAC3HDAC6HDAC1
SCHEMBL29067608 0.83 KCNH3 (0.39) TDP1HDAC8HDAC3HDAC6HDAC1
SCHEMBL1453462 0.80 TDP1 (0.46) TDP1ALDH1A1KCNH3MEN1MAPK1
SCHEMBL18896255 0.78 TDP1 (0.45) TDP1HDAC8HDAC3HDAC6HDAC1
SCHEMBL17711573 0.77 HDAC8 (0.43) TDP1HDAC8HDAC3HDAC6HDAC1
SCHEMBL25124425 0.77 ENPP2 (0.43) TDP1HDAC8HDAC3HDAC6HDAC1
SCHEMBL21499101 0.77 HDAC8 (0.44) TDP1HDAC8HDAC3HDAC6HDAC1

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 1914/4885HDAC8 3764/4885HDAC3 2527/4885

“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.

Send feedback