SCHEMBL14930229

SCHEMBL14930229

CC(=O)c1cc2c(C=O)c(O)ccc2o1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.67
ALDH1A1 P00352 2/20 0.67
GAA P10253 2/20 0.67
HSD17B10 Q99714 2/20 0.67
MEN1 O00255 1/20 0.67
POLB P06746 1/20 0.67
MAPT P10636 1/20 0.67
ALOX12 P18054 1/20 0.67
KMT2A Q03164 1/20 0.67
KDM4C Q9H3R0 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
LMNA P02545 1/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
CASP1 P29466 1/20 0.47
BRCA1 P38398 1/20 0.47
CASP7 P55210 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ERN1 O75460 11/20 0.43
ALPG P10696 1/20 0.39

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
SCHEMBL2547939 0.86 CSNK2A1 (0.54) KDM4EALDH1A1GAAHSD17B10MEN1
SCHEMBL2553024 0.80 ERN1 (0.58) KDM4EALDH1A1GAAHSD17B10MEN1
SCHEMBL2573383 0.80 MEN1 (0.43) KDM4EALDH1A1GAAHSD17B10MEN1
SCHEMBL12858762 0.80 KDM4E (1.00) KDM4EALDH1A1GAAHSD17B10MEN1
SCHEMBL10965294 0.79 ALDH1A1 (0.73) KDM4EALDH1A1GAAHSD17B10MEN1
SCHEMBL22840696 0.78 KDM4E (0.46) KDM4EALDH1A1GAAHSD17B10MEN1
SCHEMBL2556031 0.77 ERN1 (0.61) KDM4EALDH1A1GAAHSD17B10MEN1
SCHEMBL2570250 0.76 HPGD (0.43) KDM4EALDH1A1GAAHSD17B10MEN1
SCHEMBL30406437 0.76 CYP2D6 (0.51) KDM4EALDH1A1GAAHSD17B10MEN1
SCHEMBL2555270 0.76 CYP2D6 (0.51) KDM4EALDH1A1GAAHSD17B10MEN1

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-20130116247-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2013-05-09 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-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 KDM4E 2975/4885ALDH1A1 2036/4885GAA 638/4885

“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.