SCHEMBL1454063

SCHEMBL1454063

C=CCCCCCCCCCCCCCCCNC

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
EPHX1 P07099 1/20 0.48
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
PAOX Q6QHF9 1/20 0.40
ABCC4 O15439 1/20 0.39
MAPT P10636 1/20 0.39
TRPA1 O75762 1/20 0.37
SIGMAR1 Q99720 2/20 0.35
LPAR3 Q9UBY5 2/20 0.34
LPAR2 Q9HBW0 1/20 0.34

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
SCHEMBL850986 1.00 TSHR (0.52) TSHREPHX1ALDH1A1LMNAPAOX
SCHEMBL19774665 1.00 TSHR (0.52) TSHREPHX1ALDH1A1LMNAPAOX
SCHEMBL18317102 1.00 TSHR (0.52) TSHREPHX1ALDH1A1LMNAPAOX
SCHEMBL3120998 1.00 TSHR (0.52) TSHREPHX1ALDH1A1LMNAPAOX
SCHEMBL3123155 1.00 TSHR (0.52) TSHREPHX1ALDH1A1LMNAPAOX
SCHEMBL849557 1.00
SCHEMBL1454187 1.00 TSHR (0.52) TSHREPHX1ALDH1A1LMNAPAOX
SCHEMBL3118059 1.00 TSHR (0.52) TSHREPHX1ALDH1A1LMNAPAOX
SCHEMBL1454255 1.00 TSHR (0.52) TSHREPHX1ALDH1A1LMNAPAOX
SCHEMBL826160 0.97

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 TSHR 1558/4885EPHX1 3367/4885ALDH1A1 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.