SCHEMBL93673

SCHEMBL93673

CC(C)(S)CNCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
PTGS2 P35354 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CTH P32929 1/20 0.33
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
NAALAD2 Q9Y3Q0 1/20 0.33
EGLN1 Q9GZT9 2/20 0.32
KDM7A Q6ZMT4 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
LATS1 O95835 1/20 0.31

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
SCHEMBL496333 0.80 EGLN1 (0.37) ALDH1A1LMNAMAPTPTGS2TDP1
Hydrochloric Acid SCHEMBL29277291 0.78 EGLN1 (0.36) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL2558809 0.78 HMGCR (0.40) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL8076135 0.77
SCHEMBL23553761 0.76 CTH (0.33) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL15542520 0.76 ALDH1A1 (0.34) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL18509319 0.76 CTH (0.38) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL31000606 0.74 NAALAD2 (0.32) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL7571808 0.74 HMGCR (0.37) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL22694095 0.73 POLB (0.32) ALDH1A1TDP1CTHHMGCRCHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065367-A1 Radioactively Labeled Substance NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2012-03-15 US claimed
EP-2425861-A1 RADIOACTIVELY LABELED SUBSTANCE National University Corporation Chiba University (JP) 2012-03-07 EP claimed
US-20120065367-A1 Radioactively Labeled Substance NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2012-03-15 US disclosed
EP-2425861-A1 RADIOACTIVELY LABELED SUBSTANCE National University Corporation Chiba University (JP) 2012-03-07 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-20120065367-A1 Radioactively Labeled Substance KIT, ABCG2, TK1 ALDH1A1 2232/4885LMNA 3375/4885MAPT 2595/4885

“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.