SCHEMBL1622071

SCHEMBL1622071

CC(=O)OCCCCS(=O)(=O)Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
CA2 P00918 3/20 0.41
TSHR P16473 3/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
HTR1A P08908 1/20 0.39
CHRNB2 P17787 1/20 0.39
TBXA2R P21731 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRNA10 Q9GZZ6 1/20 0.39
CHRNA9 Q9UGM1 1/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL2550445 0.94 ALDH1A1 (0.52) ALDH1A1CA2TSHRCHRM5CHRM1
SCHEMBL1533859 0.85 ALDH1A1 (0.44) ALDH1A1CA2TSHRCHRM5CHRM1
SCHEMBL19784558 0.83 ALDH1A1 (0.50) ALDH1A1CA2TSHRCHRM5CHRM1
SCHEMBL19963008 0.82 ALDH1A1 (0.48) ALDH1A1CA2TSHRCHRM5CHRM1
SCHEMBL19784551 0.82 ALDH1A1 (0.48) ALDH1A1CA2TSHRCHRM5CHRM1
SCHEMBL19963065 0.82 ALDH1A1 (0.48) ALDH1A1CA2TSHRCHRM5CHRM1
SCHEMBL10172837 0.81 ALDH1A1 (0.52) ALDH1A1CA2TSHRCHRM5CHRM1
SCHEMBL1622814 0.79 ALDH1A1 (0.50) ALDH1A1CA2TSHRCHRM5CHRM1
SCHEMBL14615761 0.79 ALDH1A1 (0.50) ALDH1A1CA2TSHRCHRM5CHRM1
SCHEMBL11397955 0.79 ALDH1A1 (0.50) ALDH1A1CA2TSHRCHRM5CHRM1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928264-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2011-04-19 US disclosed
CN-101039902-B Aminoalcohol derivatives ASTELLAS PHARMA INC 2010-11-10 CN disclosed
EP-1791811-B1 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC (JP) 2009-12-23 EP disclosed
US-20080039506-A1 Aminoalcohol Derivatives ASTELLAS PHARMA INC. (JP) 2008-02-14 US disclosed
CN-101039902-A Aminoalcohol derivatives ASTELLAS PHARMA INC (JP) 2007-09-19 CN disclosed
EP-1791811-A1 AMINOALCOHOL DERIVATIVES Astellas Pharma Inc. (JP) 2007-06-06 EP disclosed
WO-2006033446-A1 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2006-03-30 WO 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-20080039506-A1 Aminoalcohol Derivatives HRH4, HRH2, CBR3 ALDH1A1 363/4885CA2 1296/4885TSHR 2359/4885

“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.