SCHEMBL1454763

SCHEMBL1454763

C[CH]CCCC(C)Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ ALOX15 P16050 3/20 0.46
▸ TSHR P16473 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ ALOX12 P18054 2/20 0.46
▸ HIF1A Q16665 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ TDP1 Q9NUW8 3/20 0.45
▸ KCNH3 Q9ULD8 2/20 0.41
▸ THRB P10828 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HDAC1 Q13547 2/20 0.38

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
SCHEMBL1455460 0.89 CYP3A4 (0.49) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL1454981 0.84 ALDH1A1 (0.42) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL1453959 0.79 ALDH1A1 (0.50) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL1454077 0.79 CACNA2D1 (0.39) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL1455140 0.78 ALDH1A1 (0.49) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL1454124 0.77 TDP1 (0.52) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL9011314 0.76 ALDH1A1 (0.47) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL9602958 0.76 ALDH1A1 (0.47) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL18660178 0.76 ALDH1A1 (0.66) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL22646172 0.76 ALDH1A1 (0.47) ALDH1A1CYP3A4ALOX15TSHRHSD17B10

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 ALDH1A1 62/4885CYP3A4 75/4885ALOX15 213/4885

“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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