SCHEMBL21999652

SCHEMBL21999652

CC(C)(C)OC(=O)C(C)(C)Oc1ccc(-c2ccccc2)cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
IKBKB O14920 1/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC3 O15379 2/20 0.40
HDAC2 Q92769 2/20 0.40
ABCB1 P08183 1/20 0.39
ABCC1 P33527 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
SCHEMBL21999646 0.77 ACLY (0.53) KDM4EALDH1A1HSD17B10MEN1MAPT
SCHEMBL28810478 0.75 KDM4E (0.40) KDM4EALDH1A1HSD17B10MEN1MAPT
SCHEMBL21999643 0.74 ACLY (0.42) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL1315998 0.74 IKBKB (0.47) KDM4EALDH1A1HSD17B10MEN1MAPT
SCHEMBL3784778 0.72 CFD (0.56) KDM4EALDH1A1HSD17B10MEN1MAPT
SCHEMBL28132865 0.71 IKBKB (0.59) KDM4EALDH1A1HSD17B10MEN1MAPT
SCHEMBL7396451 0.71 MAPT (0.47) KDM4EALDH1A1HSD17B10MEN1MAPT
SCHEMBL27529112 0.71 MAPT (0.45) KDM4EALDH1A1HSD17B10MEN1MAPT
SCHEMBL5868802 0.71 ABCB1 (0.54) HDAC1HDAC3HDAC2ABCB1ABCC1
SCHEMBL3484948 0.71 CYP1A2 (0.46) MAPTRXRARXRBPPARGPPARA

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-20200148634-A1 ACLY INHIBITORS AND USES THEREOF Nimbus Artemis, Inc. 2020-05-14 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-20200148634-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG KDM4E 1181/4885ALDH1A1 1455/4885HSD17B10 392/4885

“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.