SCHEMBL4524696

SCHEMBL4524696

COc1ccc(C(=O)OC(C)(C)C)c2c(=O)c(=O)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 5/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
GAA P10253 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP19A1 P11511 1/20 0.34
NQO2 P16083 1/20 0.34
GRM6 O15303 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34

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
SCHEMBL4308337 0.83 KDM4E (0.49) KDM4EALDH1A1HSD17B10POLBMAPT
SCHEMBL4587611 0.78 ALDH1A1 (0.53) KDM4EALDH1A1HSD17B10POLBMAPT
SCHEMBL1100205 0.74 ALDH1A1 (0.63) KDM4EALDH1A1MAPTHTTGAA
SCHEMBL5388885 0.74 ALDH1A1 (0.38) KDM4EALDH1A1HSD17B10POLBMAPT
SCHEMBL16355746 0.73 ACHE (0.47) KDM4EALDH1A1MAPTLMNAHTT
SCHEMBL934637 0.73 MAPT (0.58) ALDH1A1HSD17B10MAPTHTTSMN1; SMN2
SCHEMBL14859534 0.72 ACHE (0.46) KDM4EALDH1A1MAPTLMNAHTT
SCHEMBL7984639 0.72 MAPT (0.44) KDM4EALDH1A1POLBMAPTLMNA
SCHEMBL10608089 0.72 CYP1A2 (0.56) ALDH1A1HSD17B10POLBMAPTTDP1
SCHEMBL30822582 0.71 MAPT (0.56) ALDH1A1HSD17B10MAPTHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062297-A1 Hydroxyalkylarylamide Derivatives MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
EP-1973405-A2 HYDROXYALKYLARYLAMIDE DERIVATIVES Merck & Co., Inc. (US) 2008-10-01 EP disclosed
WO-2007087130-A2 HYDROXYALKYLARYLAMIDE DERIVATIVES MERCK & CO., INC. (US) 2007-08-02 WO 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-20090062297-A1 Hydroxyalkylarylamide Derivatives AADAC, HDAC5, HDAC3 KDM4E 313/4885ALDH1A1 621/4885HSD17B10 528/4885

“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.