SCHEMBL22718331

SCHEMBL22718331

COC(=O)CC(=O)c1cccc(OC(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 6/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 3/20 0.48
KAT6A Q92794 2/20 0.48
ALOX12 P18054 1/20 0.48
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46

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
SCHEMBL30474528 1.00 KMT2A (0.51) KMT2AMEN1GAAHTTSMN1; SMN2
SCHEMBL2130116 0.85 CES2 (0.62) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL30626936 0.85 CES2 (0.62) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL16937850 0.83 MEN1 (0.52) KMT2AMEN1GAAHTTSMN1; SMN2
SCHEMBL27916078 0.82 KMT2A (0.55) KMT2AMEN1GAAHTTSMN1; SMN2
SCHEMBL13516547 0.82 KMT2A (0.58) KMT2AMEN1HTTSMN1; SMN2NPC1
SCHEMBL1416792 0.82 KMT2A (0.55) KMT2AMEN1GAAHTTSMN1; SMN2
SCHEMBL17336641 0.81 ERCC5 (0.70) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL637341 0.81 KMT2A (0.54) KMT2AMEN1GAAHTTSMN1; SMN2
SCHEMBL14518786 0.81 KMT2A (0.54) KMT2AMEN1GAAHTTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113354635-B Pyrrolidine integrin regulator and application thereof 清药同创(北京)药物研发中心有限公司 2023-04-18 CN disclosed
US-20220168315-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VIOGEN BIOSCIENCES, LLC 2022-06-02 US disclosed
CN-113354635-A Pyrrolidine integrin regulator and application thereof 清药同创(北京)药物研发中心有限公司 2021-09-07 CN disclosed
WO-2020243457-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VIOGEN BIOSCIENCES, LLC (US) 2020-12-03 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-20220168315-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF IL15, IL17A, IL2 KMT2A 3375/4885MEN1 3253/4885GAA 18/4885

“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.