SCHEMBL13746541

SCHEMBL13746541

CC(=O)O/C(=C\SC(C)=O)C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL13746571 0.77 ALDH1A1 (0.40) ALDH1A1TSHRHSD17B10
SCHEMBL4248949 0.77 ALDH1A1 (0.40) ALDH1A1TSHRHSD17B10
SCHEMBL4242318 0.71 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL6899857 0.69 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL8884478 0.69 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL8884473 0.69 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL1331774 0.61
SCHEMBL9866292 0.61
SCHEMBL523 0.61
SCHEMBL1331977 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120329731-A1 THERAPEUTIC METHODS, COMPOSITIONS, AND COMPOUNDS NAGASAWA HERBERT T (US) 2012-12-27 US disclosed
US-20090197865-A1 THERAPEUTIC METHODS, COMPOSITIONS AND COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2009-08-06 US 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 (2 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-20120329731-A1 THERAPEUTIC METHODS, COMPOSITIONS, AND COMPOUNDS PC, ME3, PYGL ALDH1A1 509/4885TSHR 3154/4885HSD17B10 1734/4885
US-20090197865-A1 THERAPEUTIC METHODS, COMPOSITIONS AND COMPOUNDS PC, ME3, PYGL ALDH1A1 510/4885TSHR 2984/4885HSD17B10 1565/4885

“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.