SCHEMBL1454032

SCHEMBL1454032

C=CCCCCCCCCCCCCCCCSC

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
ALDH1A1 P00352 3/20 0.43
ABCC4 O15439 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.39
TRPA1 O75762 6/20 0.37
TDP1 Q9NUW8 1/20 0.36
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
SCHEMBL1453559 1.00 TSHR (0.52) TSHRALDH1A1ABCC4MAPTLMNA
SCHEMBL1453438 1.00 TSHR (0.52) TSHRALDH1A1ABCC4MAPTLMNA
SCHEMBL18863421 1.00 TSHR (0.52) TSHRALDH1A1ABCC4MAPTLMNA
SCHEMBL8923024 1.00 TSHR (0.52) TSHRALDH1A1ABCC4MAPTLMNA
SCHEMBL815324 1.00 TSHR (0.52) TSHRALDH1A1ABCC4MAPTLMNA
SCHEMBL1016930 1.00
SCHEMBL1017561 0.97
SCHEMBL1038675 0.89
SCHEMBL1016057 0.78 TSHR (0.50) TSHRALDH1A1ABCC4MAPTLMNA
SCHEMBL19644556 0.78 TSHR (0.50) TSHRALDH1A1ABCC4MAPTLMNA

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 1558/4885ALDH1A1 62/4885ABCC4 3619/4885

“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.