SCHEMBL1454533

SCHEMBL1454533

C[CH]CCCC(C)Sc1ccc(C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
HPGD P15428 4/20 0.36
MAPT P10636 4/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 3/20 0.36
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
MEN1 O00255 2/20 0.33
ATM Q13315 2/20 0.33
POLB P06746 2/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
DNMT1 P26358 1/20 0.31
MAPK1 P28482 2/20 0.31
HSP90AA1 P07900 1/20 0.31
AGTR1 P30556 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
USP2 O75604 1/20 0.30

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
SCHEMBL1455294 0.89 HPGD (0.38) ALDH1A1HPGDMAPTKMT2ALMNA
SCHEMBL1454262 0.84 MAOA (0.35) ALDH1A1KMT2ALMNAMEN1GAA
SCHEMBL11758121 0.80 HPGD (0.42) ALDH1A1HPGDMAPTKMT2ALMNA
SCHEMBL1453567 0.80 ALDH1A1 (0.35) ALDH1A1HPGDMAPTKMT2ALMNA
SCHEMBL28433531 0.77 HPGD (0.44) ALDH1A1HPGDMAPTPTGESALOX5
SCHEMBL1454233 0.73 MAOA (0.37) ALDH1A1HPGDMAPTKMT2ALMNA
SCHEMBL28429798 0.73 HPGD (0.46) ALDH1A1HPGDMAPTPOLBMAPK1
SCHEMBL15944403 0.69 HPGD (0.46) ALDH1A1HPGDMAPTKMT2ALMNA
SCHEMBL1454205 0.69 SIGMAR1 (0.35) ALDH1A1MAPTKMT2APPARGPPARA
SCHEMBL1454981 0.69 ALDH1A1 (0.42) ALDH1A1HPGDMAPTKMT2AMEN1

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 3 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
US-20070191468-A1 Amino alcohol compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2007-08-16 US 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 62/4885HPGD 3932/4885MAPT 2680/4885

“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.