SCHEMBL5446199

SCHEMBL5446199

CC(C)C(=O)COC(=O)COCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
CASP1 P29466 6/20 0.44
PAM P19021 1/20 0.44
SLC15A1 P46059 1/20 0.43
TSHR P16473 2/20 0.42
FAAH O00519 2/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL10165853 0.89 TSHR (0.50) ALDH1A1MAPK1L3MBTL1NPC1MAPT
SCHEMBL23684580 0.82 PAM (0.65) ALDH1A1MAPK1L3MBTL1NPC1MAPT
SCHEMBL419807 0.81 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL52219 0.80 ALDH1A1 (0.52) ALDH1A1MAPK1L3MBTL1NPC1MAPT
SCHEMBL28008248 0.79 TSHR (0.64) ALDH1A1MAPK1L3MBTL1NPC1MAPT
SCHEMBL5449272 0.78 MAPK1 (0.46) ALDH1A1MAPK1L3MBTL1NPC1MAPT
SCHEMBL802817 0.78 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1NPC1MAPT
SCHEMBL16672447 0.78 LMNA (0.50) ALDH1A1MAPK1L3MBTL1NPC1MAPT
SCHEMBL19598480 0.77 PPARG (0.48) ALDH1A1
SCHEMBL1171919 0.76 TSHR (0.52) ALDH1A1MAPK1L3MBTL1NPC1MAPT

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-20070191395-A1 Heterocyclic compounds having antifungal activity DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
EP-1717238-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 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-20070191395-A1 Heterocyclic compounds having antifungal activity ERG28, MANBA, MAN2B1 ALDH1A1 1357/4885MAPK1 151/4885L3MBTL1 3180/4885

“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.