SCHEMBL12378894

SCHEMBL12378894

CCOC(=O)CC(=O)c1ccc(C)c(OC)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
ALDH1A1 P00352 4/20 0.68
KDM4E B2RXH2 1/20 0.68
HSD17B2 P37059 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
MAPT P10636 4/20 0.47
TSHR P16473 3/20 0.47
CTNNB1 P35222 2/20 0.47
WNT3A P56704 2/20 0.47
ALOX5 P09917 1/20 0.45
NFKB1 P19838 1/20 0.45
STAT3 P40763 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP2C19 P33261 2/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL31314527 0.89 MEN1 (0.70) MEN1KMT2AALDH1A1KDM4EHSD17B2
SCHEMBL2848397 0.89 MEN1 (0.70) MEN1KMT2AALDH1A1KDM4EHSD17B2
SCHEMBL10568457 0.88 MEN1 (0.64) MEN1KMT2AALDH1A1KDM4EHSD17B2
SCHEMBL25966580 0.87 HSD17B2 (0.68) MEN1KMT2AALDH1A1KDM4EHSD17B2
SCHEMBL15657764 0.85 MEN1 (0.65) MEN1KMT2AALDH1A1KDM4EHSD17B2
SCHEMBL15657696 0.85 ALDH1A1 (0.65) MEN1KMT2AALDH1A1KDM4EHSD17B2
SCHEMBL28550369 0.85 ALDH1A1 (0.56) MEN1KMT2AALDH1A1KDM4EHSD17B2
SCHEMBL31320787 0.85 ALDH1A1 (0.56) MEN1KMT2AALDH1A1KDM4EHSD17B2
SCHEMBL7434555 0.84 KMT2A (0.63) MEN1KMT2AALDH1A1KDM4EHSD17B2
SCHEMBL30951612 0.84 ALDH1A1 (0.54) MEN1KMT2AALDH1A1KDM4ETAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190514-A1 PYRONE ANALOG COMPOSITIONS AND METHODS LIMERICK BIOPHARMA, INC. (US) 2011-08-04 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 (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-20110190514-A1 PYRONE ANALOG COMPOSITIONS AND METHODS CYP11B2, CYP11B1, GLS2 MEN1 535/4885KMT2A 4673/4885ALDH1A1 3621/4885

“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.